# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T08:20:49+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P -3 m 1' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000045","3.5862","0.0006","3.5862","0.0006","4.8801","0.0017","90","","90","","120","","54.4","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Busing, W R; Levy, H A","Neutron diffraction study of calcium hydroxide","Journal of Chemical Physics","1957","26","","563","568","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000054","3.142","0.001","3.142","0.001","4.766","0.002","90","","90","","120","","40.7","","","","","","","","","","","","from North America","3","P -3 m 1","-P 3 2""","164","","Magnesium hydroxide","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H2 Mg O2 -","1","0.0833333","","Zigan, F; Rothbauer, R","Neutronenbeugungsmessungen am Brucit","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1967","1967","","137","143","","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000114","18.863","0.004","18.863","0.002","7.636","0.002","90","","90","","120","","2353","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Potassium barium aluminium fluoride chloride (2.9/7.1/6/33/2)","","- Al6 Ba7.092 Cl2 F33 K2.908 -","- Al6 Ba7.092 Cl2 F33 K2.908 -","- Al18 Ba21.276 Cl6 F99 K8.724 -","3","0.25","","Le Bail, A; Hemon-Ribaud, A; Courbion, G","Synthesis and structure approach of K~3~Ba~7~Al~6~F~33~Cl~2~","Journal of Solid State Chemistry","1993","107","","234","244","10.1006/jssc.1993.1343","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000461","7.2","","7.2","","10.679","","90","","90","","120","","479.4","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Caesium chromium fluoride (4/5/18.24)","","- Cr5 Cs4 F18.24 -","- Cr5 Cs4 F18.24 -","- Cr5 Cs4 F18.24 -","1","0.0833333","","Courbion, G; de Pape, R; Knoke, G; Babel, D","Structures of cesium containing fluorides, VI:The pyrochlore-related layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x","Journal of Solid State Chemistry","1983","49","","353","361","10.1016/S0022-4596(83)80013-9","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000462","7.203","","7.203","","10.761","","90","","90","","120","","483.5","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Tetracaesium cobalt tetrachromium fluoride","","- Co Cr4 Cs4 F18.24 -","- Co0.999 Cr4.001 Cs4 F18.24 -","- Co0.999 Cr4.001 Cs4 F18.24 -","1","0.0833333","","Courbion, G; de Pape, R; Knoke, G; Babel, D","Structures of cesium containing fluorides, VI:The pyrochlore-related layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x","Journal of Solid State Chemistry","1983","49","","353","361","10.1016/S0022-4596(83)80013-9","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001013","7.529","0.004","7.529","0.004","8.194","0.008","90","","90","","120","","402.3","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Niobium rubidium titanium oxide (6/2/1/18)","","- Nb6 O18 Rb2 Ti -","- Nb5.999 O18 Rb2 Ti1.001 -","- Nb5.999 O18 Rb2 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001014","7.512","0.004","7.512","0.004","8.231","0.008","90","","90","","120","","402.2","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Rubidium tantalum titanium oxide (2/6/1/18)","","- O18 Rb2 Ta6 Ti -","- O18 Rb2 Ta5.999 Ti1.001 -","- O18 Rb2 Ta5.999 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001015","7.533","0.004","7.533","0.004","8.189","0.008","90","","90","","120","","402.4","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Caesium niobium titanium oxide (2/6/1/18)","","- Cs2 Nb6 O18 Ti -","- Cs2 Nb5.999 O18 Ti1.001 -","- Cs2 Nb5.999 O18 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001016","7.513","0.004","7.513","0.004","8.227","0.008","90","","90","","120","","402.2","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Caesium tantalum titanium oxide (2/6/1/18)","","- Cs2 O18 Ta6 Ti -","- Cs2 O18 Ta5.999 Ti1.001 -","- Cs2 O18 Ta5.999 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001674","5.882","0.002","5.882","0.002","14.237","0.008","90","","90","","120","","426.6","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Barium antimony nickel iron(III) oxide (2/2/3/8/22)","","- Ba2 Fe8 Ni3 O22 Sb2 -","- Ba2 Fe8 Ni3.01 O22 Sb1.99 -","- Ba2 Fe8 Ni3.01 O22 Sb1.99 -","1","0.0833333","","Fuchs, G; Nguyen, N; Greneche, J M; Groult, D; Raveau, B","Antiferromagnetic 6L-Hexagonal ferrites, Ba2 Sb2 M3 Fe8 O22 (M = Zn, Mg, Ni, Co)","Journal of Solid State Chemistry","1986","61","","223","229","10.1016/0022-4596(86)90025-3","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001768","3.589","0.008","3.589","0.008","4.911","0.014","90","","90","","120","","54.8","","","","","","","","","","","","synthetic by slow diffusion","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C","Hydrogen thermal motion in calcium hydroxide: Ca (O H)2","Acta Crystallographica B (39,1983-)","1993","49","","812","817","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001769","3.589","0.008","3.589","0.008","4.911","0.014","90","","90","","120","","54.8","","","","","","","","","","","","synthetic by slow diffusion","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C","Hydrogen thermal motion in calcium hydroxide: Ca (O H)2","Acta Crystallographica B (39,1983-)","1993","49","","812","817","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001787","3.589","0.008","3.589","0.008","4.911","0.014","90","","90","","120","","54.8","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H1.998 O2 -","- Ca H1.998 O2 -","1","0.0833333","","Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C","Hydrogen thermal motion in calcium hydroxide: Ca (O H)2","Acta Crystallographica B (39,1983-)","1993","49","","812","817","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001788","3.589","0.008","3.589","0.008","4.911","0.014","90","","90","","120","","54.8","","","","","","","","","","","","synthetic by slow diffusion","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H1.998 O2 -","- Ca H1.998 O2 -","1","0.0833333","","Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C","Hydrogen thermal motion in calcium hydroxide: Ca (O H)2","Acta Crystallographica B (39,1983-)","1993","49","","812","817","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001847","7.524","0.004","7.524","0.004","8.259","0.008","90","","90","","120","","404.9","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Titanium hexatantalum dithallium oxide","","- O18 Ta6 Ti Tl2 -","- O18 Ta6 Ti Tl1.9998 -","- O18 Ta6 Ti Tl1.9998 -","1","0.0833333","","Desgardin, G; Robert, C; Raveau, B","Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18","Materials Research Bulletin","1978","13","","621","626","10.1016/0025-5408(78)90187-3","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001848","7.524","0.004","7.524","0.004","8.259","0.008","90","","90","","120","","404.9","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Dithallium hexatantalum titanium oxide","","- O18 Ta6 Ti Tl2 -","- O18 Ta6 Ti Tl1.9998 -","- O18 Ta6 Ti Tl1.9998 -","1","0.0833333","","Desgardin, G; Robert, C; Raveau, B","Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18","Materials Research Bulletin","1978","13","","621","626","10.1016/0025-5408(78)90187-3","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001849","7.537","0.004","7.537","0.004","8.224","0.008","90","","90","","120","","404.6","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Titanium hexaniobium dithallium oxide","","- Nb6 O18 Ti Tl2 -","- Nb6 O18 Ti Tl1.9998 -","- Nb6 O18 Ti Tl1.9998 -","1","0.0833333","","Desgardin, G; Robert, C; Raveau, B","Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18","Materials Research Bulletin","1978","13","","621","626","10.1016/0025-5408(78)90187-3","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001850","7.537","0.004","7.537","0.004","8.224","0.008","90","","90","","120","","404.6","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Titanium hexaniobium dithallium oxide","","- Nb6 O18 Ti Tl2 -","- Nb6 O18 Ti Tl1.9998 -","- Nb6 O18 Ti Tl1.9998 -","1","0.0833333","","Desgardin, G; Robert, C; Raveau, B","Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18","Materials Research Bulletin","1978","13","","621","626","10.1016/0025-5408(78)90187-3","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004086","4.101","0.004","4.101","0.004","6.066","0.004","90","","90","","120","","88.4","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Bismuth lead oxyfluoride","","- Bi F O2 Pb -","- Bi F1.002 O1.998 Pb -","- Bi F1.002 O1.998 Pb -","1","0.0833333","","Follet Houttemane, C; Canonne, J; Boivin, J C; Champarnaud Mesjard, J C; Mercurio, D; Frit, B","Electrical Properties and High Temperature Crystal Structure of the Bismuth Lead Oxyfluoride: Bi Pb O~2~ F","Solid State Ionics","1988","28","","458","464","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008063","3.777","0.003","3.777","","6.498","0.006","90","","90","","120","","80.3","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Titanium telluride","","- Te2 Ti -","- Te2 Ti -","- Te2 Ti -","1","0.0833333","","Arnaud, Y; Chevreton, M","Etude comparative des composes Ti X~2~ (X= S, Se, Te). Structures de Ti Te~2~ et Ti Se Te","Journal of Solid State Chemistry","1981","39","","230","239","10.1016/0022-4596(81)90336-4","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008064","3.651","0.003","3.651","","6.317","0.006","90","","90","","120","","72.9","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Titanium selenide telluride","","- Se Te Ti -","- Se Te Ti -","- Se Te Ti -","1","0.0833333","","Arnaud, Y; Chevreton, M","Etude comparative des composes Ti X~2~ (X= S, Se, Te). Structures de Ti Te~2~ et Ti Se Te","Journal of Solid State Chemistry","1981","39","","230","239","10.1016/0022-4596(81)90336-4","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008068","5.805","0.002","5.805","","7.556","","90","","90","","120","","220.5","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Rubidium sodium tetrafluoroberyllate (1.5/.5/1)","","- Be2 F8 Na Rb3 -","- Be2 F8 Na Rb3 -","- Be2 F8 Na Rb3 -","1","0.0833333","","Pontonnier, L; Caillet, M; Aleonard, S","Etude des systemes Me(I)~2~ Be F~4~ - Na~2~ Be F~4~","Materials Research Bulletin","1972","7","","799","812","10.1016/0025-5408(72)90130-4","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:55",""
"1008672","2.9239","0.0004","2.9239","0.0004","20.91299","0.002","90","","90","","120","","154.8","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Lithium niobium oxide (0.8/1/2)","","- Li0.795 Nb O2 -","- Li0.795 Nb O2 -","- Li3.18 Nb4 O8 -","4","0.333333","","Bordet, P; Moshopoulou, E; Liesert, S; Capponi, J J","Structure and physical properties of Li(1-x) Nb O2 single crystals","Physica C (Amsterdam) (152,1988-)","1994","235","","745","746","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008762","2.95","","2.95","","4.56","","90","","90","","120","","34.4","","","","","","","","","","","","synthetic at 313-323 K","3","P -3 m 1","-P 3 2""","164","","Iron(III) oxide hydroxide - δ","Feroxyhyte","- Fe H O2 -","- Fe H O2 -","- Fe H O2 -","1","0.0833333","","Patrat, G.; de Bergevin, F.; Pernet, M.; Joubert, J. C.","Structure locale de δ-FeOOH","Acta Crystallographica, Section B: Structural Science","1983","39","2","165","170","10.1107/s0108768183002232","","","","","","","","","","","","","","","","","","","","","has coordinates","200140","2020-10-21","18:00:00",""
"1008781","3.5918","0.0003","3.5918","0.0003","4.9063","0.0007","90","","90","","120","","54.8","","","","","","","","","","","","synthetic by slow precipitation","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Busing, W R; Levy, H A","Neutron diffraction study of calcium hydroxide","Journal of Chemical Physics","1957","26","","563","568","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008782","3.27","0.001","3.27","0.001","5.956","0.003","90","","90","","120","","55.2","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Phosphorus vanadium sulfide (.2/1/2)","","- P0.2 S2 V -","- P0.2 S2 V -","- P0.2 S2 V -","1","0.0833333","","Brec, R; Ouvrard, G; Freour, R; Rouxel, J; Soubeyroux, J L","Neutron and x-ray diffraction study of layered P0.2 V S2","Materials Research Bulletin","1983","18","","689","696","10.1016/0025-5408(83)90095-8","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008783","3.268","0.001","3.268","0.001","5.939","0.001","90","","90","","120","","54.9","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Phosphorus vanadium sulfide (.2/1/2)","","- P0.17 S2 V -","- P0.17 S2 V -","- P0.17 S2 V -","1","0.0833333","","Brec, R; Ouvrard, G; Freour, R; Rouxel, J; Soubeyroux, J L","Neutron and x-ray diffraction study of layered P0.2 V S2","Materials Research Bulletin","1983","18","","689","696","10.1016/0025-5408(83)90095-8","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008784","3.268","0.001","3.268","0.001","5.936","0.001","90","","90","","120","","54.9","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Phosphorus vanadium sulfide (.2/1/2)","","- P0.17 S2 V -","- P0.17 S2 V -","- P0.17 S2 V -","1","0.0833333","","Brec, R; Ouvrard, G; Freour, R; Rouxel, J; Soubeyroux, J L","Neutron and x-ray diffraction study of layered P0.2 V S2","Materials Research Bulletin","1983","18","","689","696","10.1016/0025-5408(83)90095-8","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010062","4.59","","4.59","","6.78","","90","","90","","120","","123.7","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Lead iodide","","- I2 Pb -","- I2 Pb -","- I2 Pb -","1","0.0833333","","Terpstra, P; Westenbrink, H G K","On the crystal-structure of lead-iodide","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1926","29","","431","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010101","5.62","0.01","5.62","0.01","4.65","0.01","90","","90","","120","","127.2","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Potassium hexafluorogermanate","","- F6 Ge K2 -","- F6 Ge K2 -","- F6 Ge K2 -","1","0.0833333","","Hoard, J L; Vincent, W B","Structures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate","Journal of the American Chemical Society","1939","61","","2849","2852","10.1021/ja01265a082","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010102","5.85","0.01","5.85","0.01","4.775","0.01","90","","90","","120","","141.5","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ammonium hexafluorogermanate","","- F6 Ge H8 N2 -","- F6 Ge H8 N2 -","- F6 Ge H8 N2 -","1","0.0833333","","Hoard, J L; Vincent, W B","Ytructures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate","Journal of the American Chemical Society","1939","61","","2849","2852","10.1021/ja01265a082","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010267","3.173","0.002","3.173","0.002","4.64","0.004","90","","90","","120","","40.5","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cobalt hydroxide","","- Co H2 O2 -","- Co H2 O2 -","- Co H2 O2 -","1","0.0833333","","Lotmar, W.; Feitknecht, W.","Über Änderungen der Ionenabstände in Hydroxyd-Schichtengittern","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","93","","368","378","10.1524/zkri.1936.93.1.368","","","","","","","","","","","","","","","","","","","","","has coordinates","205126","2020-10-21","18:00:00",""
"1010275","3.397","0.003","3.397","0.003","5.691","0.01","90","","90","","120","","56.9","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Titanium sulfide","","- S2 Ti -","- S2 Ti -","- S2 Ti -","1","0.0833333","","Oftedal, I","Roentgenographische Untersuchungen von Sn S~2~, Ti S~2~, Ti Se~2~, Ti Te~2~","Zeitschrift fuer Physikalische Chemie (Leipzig)","1928","134","","301","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1010276","3.533","0.003","3.533","0.003","5.995","0.01","90","","90","","120","","64.8","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Titanium selenide","","- Se2 Ti -","- Se2 Ti -","- Se2 Ti -","1","0.0833333","","Oftedal, I","Roentgenographische Untersuchungen von Sn S~2~, Ti S~2~, Ti Se~2~, Ti Te~2~","Zeitschrift fuer Physikalische Chemie (Leipzig)","1928","134","","301","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010277","3.774","0.003","3.774","0.003","6.539","0.01","90","","90","","120","","80.7","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Titanium telluride","","- Te2 Ti -","- Te2 Ti -","- Te2 Ti -","1","0.0833333","","Oftedal, I","Roentgenographische Untersuchungen von Sn S~2~, Ti S~2~, Ti Se~2~, Ti Te~2~","Zeitschrift fuer Physikalische Chemie (Leipzig)","1928","134","","301","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010330","2.51","","2.51","","6.69","","90","","90","","120","","36.5","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Boron nitride","","- B N -","- B N -","- B2 N2 -","2","0.166667","","Hassel, O","Die Kristallstruktur des Bornitrides, B N","Norsk Geologisk Tidsskrift","1927","9","","266","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010331","2.51","","2.51","","6.69","","90","","90","","120","","36.5","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Boron nitride","","- B N -","- B N -","- B2 N2 -","2","0.166667","","Hassel, O","Die Kristallstruktur des Bornitrides, B N","Norsk Geologisk Tidsskrift","1927","9","","266","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010484","3.13","","3.13","","4.75","","90","","90","","120","","40.3","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Magnesium hydroxide","","- H2 Mg O2 -","- H3 Mg O2 -","- H3 Mg O2 -","1","0.0833333","","Aminoff, G","Ueber die Struktur des Magnesiumhydroxides.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1921","56","","505","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010545","4.48","0.02","4.48","0.02","6.96","0.03","90","","90","","120","","121","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Ytterbium(II) iodide","","- I2 Yb -","","","1","0.0833333","","Doell, W; Klemm, W","Ueber die Struktur einiger Dihalogenide","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","241","","239","258","10.1002/zaac.19392410211","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010556","3.176","","3.176","","4.64","","90","","90","","120","","40.5","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Cobalt zinc hydroxide *","","- Co0.5 H2 O2 Zn0.5 -","","","3","0.25","","Feitknecht, W.","Über die α-Form der Hydroxide zweiwertiger Metalle","Helvetica Chimica Acta","1938","21","1","766","784","10.1002/hlca.19380210199","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010598","6.77","","6.77","","10.45","","90","","90","","120","","414.8","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Ammonium hexakis(thiocyanato)platinate","","- C6 H8 N8 Pt S6 -","- C H8 N3 Pt S6 -","- C H8 N3 Pt S6 -","1","0.0833333","","Hendricks, S B; Merwin, H E","The Atomic Arrangement in Crystals of the Alkali Platini-Thiocyanates","American Journal of Science, Serie 5(1,1921-1938)","1928","15","","487","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","205563","2020-10-21","18:00:00",""
"1010599","6.73","","6.73","","10.26","","90","","90","","120","","402.4","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Potassium hexakis(thiocyanato)platinate","","- C6 K2 N6 Pt S6 -","- C K2 N Pt S6 -","- C K2 N Pt S6 -","1","0.0833333","","Hendricks, S B; Merwin, H E","The Atomic Arrangement in Crystals of the Alkali Platini-thiocyanates","American Journal of Science, Serie 5(1,1921-1938)","1928","15","","487","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","205563","2020-10-21","18:00:00",""
"1010600","6.75","","6.75","","10.47","","90","","90","","120","","413.1","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Rubidium hexakis(thiocyanato)platinate","","- C6 N6 Pt Rb2 S6 -","- C N Pt Rb2 S6 -","- C N Pt Rb2 S6 -","1","0.0833333","","Hendricks, S B; Merwin, H E","The Atomic Arrangement in Crystals of the Alkali Platini-Thiocyanates","American Journal of Science, Serie 5(1,1921-1938)","1928","15","","487","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","205563","2020-10-21","18:00:00",""
"1010834","4.666","","4.666","","7.401","","90","","90","","120","","139.5","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Magnesium bismuth (3/2)","","- Bi2 Mg3 -","","","1","0.0833333","","Zintl, E; Huseman, E","Bindungsart und Gitterbau binaerer Magnesiumverbindungen. (12. Mitteilung ueber Metalle und Legierungen.)","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","21","","138","155","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010836","4.48","0.02","4.48","0.02","6.96","0.03","90","","90","","120","","121","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Calcium iodide","","- Ca I2 -","- Ca I2 -","- Ca I2 -","1","0.0833333","","Blum, H","Die Kristallstruktur des wasserfreien Magnesiumjodids und Calciumjodids.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","22","","298","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","209441","2020-10-21","18:00:00",""
"1011019","5.65","0.02","5.65","0.02","7.29","0.09","90","","90","","120","","201.5","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Sodium tripotassium sulfate","Aphthitalite","- K3 Na O8 S2 -","- K3 Na O8 S2 -","- K3 Na O8 S2 -","1","0.0833333","","Gossner, B","Ueber die Kristallstruktur von Glaserit und Kaliumsulfat.","Neues Jahrbuch fuer Mineralogie, Geologie und Palaeontologie. Beilage (- 1925)","1928","57","","89","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011134","3.114","0.005","3.114","0.005","4.617","0.005","90","","90","","120","","38.8","","","","","","","","","","","","synthetic","3","P -3 m 1","-P 3 2""","164","","Nickel hydroxide","Theophrastite","- H2 Ni O2 -","- H3 Ni O2 -","- H3 Ni O2 -","1","0.0833333","","Cairns, R W; Ott, E","X-ray studies of the system nickel-oxygen-water. I. Nickelous oxide and hydroxide","Journal of the American Chemical Society","1933","55","","527","533","10.1021/ja01329a013","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011290","5.76","","5.76","","4.77","","90","","90","","120","","137.1","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Diammonium hexafluorosilicate","Bararite","- F6 H8 N2 Si -","- F6 H8 N2 Si -","- F6 H8 N2 Si -","1","0.0833333","","Gossner, B; Kraus, O","Das Kristallgitter von Ammoniumhexafluorosilikat (N H4)2 Si F6","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","223","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011330","3.62","","3.62","","5.85","","90","","90","","120","","66.4","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Tin(IV) sulfide","Berndtite","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Oftedal, I","Die Kristallstruktur von Sn S2","Norsk Geologisk Tidsskrift","1926","9","","225","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011381","4.428","0.004","4.428","","7.185","0.007","90","","90","","120","","122","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Dimagnesium zinc antimonide (1.86/1.14/2)","","- Mg1.86 Sb2 Zn1.14 -","- Mg1.86 Sb2 Zn1.14 -","- Mg1.86 Sb2 Zn1.14 -","1","0.0833333","","Loehberg, K","Zur Kenntnis der Ersetzbarkeit von Zink durch Magnesium und umgekehrt 1. Ueber die Mischbarkeit von Mg3 Sb2 und Zn3 Sb2 und die Struktur der Mischkristalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1934","27","","381","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1507930","18.65","0.0017","18.65","0.0017","6.8329","0.0009","90","","90","","120","","2058.2","0.4","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","stam1","","","- C60 H68 Cu6 O52 -","- C60 H48 Cu6 O52 -","- C60 H48 Cu6 O52 -","1","0.0833333","","Mohideen, M Infas H; Xiao, Bo; Wheatley, Paul S.; McKinlay, Alistair C.; Li, Yang; Slawin, Alexandra M. Z.; Aldous, David W.; Cessford, Naomi F.; Düren, Tina; Zhao, Xuebo; Gill, Rachel; Thomas, K. Mark; Griffin, John M.; Ashbrook, Sharon E.; Morris, Russell E.","Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework.","Nature chemistry","2011","3","4","304","310","10.1038/nchem.1003","","","0.71073","MoKα","","0.069","0.056","","","0.1339","0.1415","","","","","","1.149","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508368","3.4079","0.0004","3.4079","0.0004","5.6989","0.0006","90","","90","","120","","57.319","0.011","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","lithium Titanium sulfide","","- Li S2 Ti -","- Li S2 Ti -","- Li S2 Ti -","1","0.0833333","","Dahn, J.R.; McKinnon, W.R.; Haering, R.R.; Buyers, W.J.L.; Powell, B.M.","Structure determination of LixTiS2 by neutron diffraction","Canadian Journal of Physics","1980","58","","207","213","10.1139/p80-033","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1509022","4.4846","","4.4846","","7.2355","","90","","90","","120","","126.022","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Lithium manganese silver telluride (1/1.11/0.67/2)","","- Ag0.67 Li Mn1.11 Te2 -","- Ag0.67 Li Mn1.11 Te2 -","- Ag0.67 Li Mn1.11 Te2 -","1","0.0833333","","Kim, J.; Hughbanks, T.","Direct and indirect preparation of layered quaternary manganese tellurides; A Mnx My Te2 (A = Li, Na; M = Cu, Ag; x+y<=2)","Journal of Alloys Compd.","2001","327","","116","120","10.1016/S0925-8388(01)01550-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509048","4.5408","","4.5408","","7.5727","","90","","90","","120","","135.222","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Sodium manganese silver telluride (1/0.97/0.13/2)","","- Ag0.13 Mn0.97 Na Te2 -","- Ag0.13 Mn0.97 Na Te2 -","- Ag0.13 Mn0.97 Na Te2 -","1","0.0833333","","Hughbanks, T.; Kim, J.","Direct and indirect preparation of layered quaternary manganese tellurides; A Mnx My Te2 (A = Li, Na; M = Cu, Ag; x+y<=2)","Journal of Alloys Compd.","2001","327","","116","120","10.1016/S0925-8388(01)01550-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509063","3.4676","","3.4676","","6.2247","","90","","90","","120","","64.82","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Silver titanium sulfide (0.2/1/2)","","- Ag0.167 S2 Ti -","- Ag0.167 S2 Ti -","- Ag0.167 S2 Ti -","1","0.0833333","","Young, V.G.jr.; Glaunsinger, W.S.; von Dreele, R.B.; McKelvy, M.J.; Burr, G.L.","A structural investigation of Ag0.167TiS2 by time-of-flight neutron powder diffraction","Journal of Solid State Chemistry","1990","84","","355","364","10.1016/0022-4596(90)90333-S","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509064","3.4057","","3.4057","","12.033","","90","","90","","120","","120.87","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Silver titanium sulfide (0.17/1/2)","","- Ag0.167 S2 Ti -","- Ag0.1665 S2 Ti -","- Ag0.333 S4 Ti2 -","2","0.166667","","Glaunsinger, W.S.; McKelvy, M.J.; von Dreele, R.B.; Burr, G.L.; Young, V.G.jr.","A structural investigation of Ag0.167TiS2 by time-of-flight neutron powder diffraction","Journal of Solid State Chemistry","1990","84","","355","364","10.1016/0022-4596(90)90333-S","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509106","3.4275","","3.4275","","6.3977","","90","","90","","120","","65.089","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Silver titanium sulfide (.35/1/2)","","- Ag0.35 S2 Ti -","- Ag0.346 S2 Ti -","- Ag0.346 S2 Ti -","1","0.0833333","","Wiegers, G.A.; Haange, R.J.; Gerards, A.G.; Boukamp, B.A.; Roede, H.","Structure and electrochemical properties of intercalation compounds in the system silver-titanium disulfide, Ag x Ti S2","Synthetic metals","1984","10","","51","66","10.1016/0379-6779(84)90079-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509338","7.6","","7.6","","5.69","","90","","90","","120","","284.623","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Ag Fe Te2 -","- Ag Fe Te2 -","- Ag3 Fe3 Te6 -","3","0.25","","Zhukova, T.B.; Zaslavskii, A.I.","The structure of Ag Fe Te2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1964","5","","246","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509507","4.1247","","4.1247","","6.692","","90","","90","","120","","98.599","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ag Zn Sm P2","","- Ag P2 Sm Zn -","- Ag P2 Sm Zn -","- Ag P2 Sm Zn -","1","0.0833333","","Tejedor, P.; Stacy, A.M.","Structure and properties of a new family of ceramic phosphides: Ag Zn La P2, Ag Zn Sm P2, and Cu Zn Sm P2","Journal of Solid State Chemistry","1990","89","","227","236","10.1016/0022-4596(90)90265-Y","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509684","3.072","","3.072","","4.941","","90","","90","","120","","40.382","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ag2 O -","- Ag2 O -","- Ag2 O -","1","0.0833333","","Vereshchagin, L.F.; Popova, S.V.; Serebrjanaja, N.R.; Kabalkina, S.S.","About the new modification of Ag2 O with layered structure","Doklady Akademii Nauk SSSR","1963","152","","853","855","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509711","4.386","","4.386","","7.194","","90","","90","","120","","119.85","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ba (Ag2 S2)","","- Ag2 Ba S2 -","- Ag2 Ba S2 -","- Ag2 Ba S2 -","1","0.0833333","","Bronger, W.; Huster, J.; Lenders, B.","Ba Ag2 S2, ein Thioargentat im Ca Al2 Si2-Strukturtyp","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1357","1360","10.1002/zaac.19976230906","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509798","2.97735","","2.97735","","5.688","","90","","90","","120","","43.667","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ag2 F -","- Ag2 F -","- Ag2 F -","1","0.0833333","","Williams, A.","Neutron powder diffraction study of silver subfluoride","Journal of Physics: Condensed Matter","1989","1","","2569","2574","10.1088/0953-8984/1/15/002","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510474","4.756","","4.756","","3.109","","90","","90","","120","","60.902","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Au2 U -","- Au2 U -","- Au2 U -","1","0.0833333","","Hulliger, F.; Dommann, A.","On the structure types of U Au2 and U14 Au51","Journal of the Less-Common Metals","1988","141","","261","273","10.1016/0022-5088(88)90412-2","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510489","6.192","","6.192","","5.08","","90","","90","","120","","168.677","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs (Au3 S2)","","- Au3 Cs S2 -","- Au3 Cs S2 -","- Au3 Cs S2 -","1","0.0833333","","Weithaler, C.; Klepp, K.O.","The crystal structures of Cs Au3 S2, Rb Au3 S2 and Cs Au3 Se2 and their relationship to the Cs Cu3 S2 structure type","Journal of Alloys Compd.","1996","243","","1","5","10.1016/S0925-8388(96)02360-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510490","6.281","","6.281","","5.205","","90","","90","","120","","177.832","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs (Au3 Se2)","","- Au3 Cs Se2 -","- Au3 Cs Se2 -","- Au3 Cs Se2 -","1","0.0833333","","Weithaler, C.; Klepp, K.O.","The crystal structures of Cs Au3 S2, Rb Au3 S2 and Cs Au3 Se2 and their relationship to the Cs Cu3 S2 structure type","Journal of Alloys Compd.","1996","243","","1","5","10.1016/S0925-8388(96)02360-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510509","6.112","","6.112","","5.224","","90","","90","","120","","169.005","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Rb (Au3 Se2)","","- Au3 Rb Se2 -","- Au3 Rb Se2 -","- Au3 Rb Se2 -","1","0.0833333","","Klepp, K.O.; Weithaler, C.","The crystal structures of Cs Au3 S2, Rb Au3 S2 and Cs Au3 Se2 and their relationship to the Cs Cu3 S2 structure type","Journal of Alloys Compd.","1996","243","","1","5","10.1016/S0925-8388(96)02360-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510794","2.879","","2.879","","7.052","","90","","90","","120","","50.62","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- B2 O -","- B2 O -","- B4 O2 -","2","0.166667","","Sankey, O.F.; McMillan, P.F.; Grumbach, M.P.","Properties of B2 O: an unsymmetrical analog of carbon","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1995","52","","15807","15811","10.1103/PhysRevB.52.15807","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1513959","3.195","0.005","3.195","","5.303","0.004","90","","90","","120","","46.88","0.08","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Dilithium Manganese Oxide","","- Li2 Mn O2 -","- Li2 Mn O2 -","- Li2 Mn O2 -","1","0.0833333","","David, W. I. F.; Goodenough, J. B.; Thackeray, M. M.; Thomas, M. G. S. R.","The Crystal structure of Li2 Mn O2","Revue de Chimie Minerale","1983","20","","636","642","","","","","","","0.101","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514150","18.65","0.0017","18.65","0.0017","6.8329","0.0009","90","","90","","120","","2058.2","0.4","300","","300","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C30 H30 Cu3 O24 -","- C30 H24 Cu3 O21 -","- C60 H48 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0451","0.0318","","0.0847","0.0808","0.0847","","","","","","0.9395","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514151","18.695","0.003","18.695","0.003","6.9489","0.0009","90","","90","","120","","2103.3","0.5","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C34.5 H36 Cu3 O22.5 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.116","0.073","","0.1452","0.0797","0.0797","","","","","","1.0888","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514152","18.7034","0.0003","18.7034","0.0003","6.878","0.0001","90","","90","","120","","2083.69","0.06","300","","300","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C33.5 H32 Cu3 O21.5 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.049","0.0322","","0.0823","0.0762","0.0823","","","","","","0.9536","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514153","18.6631","0.0014","18.6631","0.0014","6.9006","0.0005","90","","90","","120","","2081.5","0.3","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C35 H38 Cu3 O23 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.062","0.0407","","0.0742","0.0467","0.0467","","","","","","1.1519","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514154","18.5495","0.0013","18.5495","0.0013","6.8063","0.0005","90","","90","","120","","2028.2","0.3","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C38 H50 Cu3 O26 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.0912","0.0673","","0.1138","0.0925","0.0925","","","","","","1.2169","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514155","18.577","0.002","18.577","0.002","6.8406","0.0009","90","","90","","120","","2044.4","0.4","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C33 H32 Cu3 O22 -","- C30 H24 Cu3 O21 -","- C60 H48 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.1221","0.0678","","0.2159","0.1562","0.2159","","","","","","0.9858","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514156","18.459","0.002","18.459","0.002","6.7489","0.0009","90","","90","","120","","1991.5","0.4","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C36 H40 Cu3 O23 -","- C30 H24 Cu3 O21 -","- C60 H48 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.1441","0.0819","","0.2566","0.2222","0.2566","","","","","","1.0066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514157","18.623","0.002","18.623","0.002","6.8973","0.0007","90","","90","","120","","2071.6","0.4","298","","298","","","","0.1","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C30 H37 Cu3 O27.5 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1365","0.063","","0.1262","0.0715","0.0715","","","","","","1.1183","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514158","18.5488","0.0013","18.5488","0.0013","6.9375","0.0004","90","","90","","120","","2067.1","0.2","298","","298","","","","0.3","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C37 H32.5 Cu3 N3.5 O20 -","- C31.998 H25.002 Cu3 N0.999 O20.001 -","- C63.996 H50.004 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0835","0.0558","","0.0994","0.0654","0.0654","","","","","","0.9979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514159","18.5877","0.0005","18.5877","0.0005","6.874","0.0002","90","","90","","120","","2056.8","0.1","150","","150","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C35 H31 Cu3 N2.5 O21 -","- C31.998 H24 Cu3 N0.999 O20.001 -","- C63.996 H48 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0798","0.0574","","0.1599","0.1529","0.1599","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514160","18.626","0.003","18.626","0.003","6.8687","0.0015","90","","90","","120","","2063.7","0.7","150","","150","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C33 H35 Cu3 N O21.5 -","- C30.999 H29.001 Cu3 N0.999 O20.001 -","- C61.998 H58.002 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1","0.0619","","0.1534","0.1356","0.1534","","","","","","0.9335","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514161","18.577","0.003","18.577","0.003","6.841","0.001","90","","90","","120","","2044.6","0.6","150","","150","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C32 H32 Cu3 N O22 -","- C31.998 H28.996 Cu3 N0.999 O20.001 -","- C63.996 H57.992 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0863","0.0618","","0.1497","0.1361","0.1497","","","","","","0.8787","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514162","18.542","0.0012","18.542","0.0012","6.8114","0.0005","90","","90","","120","","2028.1","0.2","300","","300","","","","0.7","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C38 H40 Cu3 O25 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.184","0.0939","","0.1799","0.1018","0.1018","","","","","","1.0948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514163","18.2591","0.0016","18.2591","0.0016","6.6274","0.0006","90","","90","","120","","1913.5","0.3","300","","300","","","","0.2","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C42 H48 Cu3 O27 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1949","0.1102","","0.2535","0.1332","0.1332","","","","","","1.1122","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514164","17.991","0.003","17.991","0.003","6.5371","0.0011","90","","90","","120","","1832.4","0.5","300","","300","","","","3","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C34 H32 Cu3 O23 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1868","0.1204","","0.2319","0.1342","0.1342","","","","","","1.1803","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519034","5.042","0.002","5.042","0.002","9.868","0.001","90","","90","","120","","217.25","0.12","","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Al F6 Li Yb -","- Al F6 Li Yb0.5 -","- Al2 F12 Li2 Yb -","2","0.166667","","Kohler, J.","Syntheses and structures of novel complex Yb(II) fluorides : YBeF4, YAlF5 and LiYbAlF6","Solid State Sciences","1999","1","","545","553","","","x-ray","0.71073","MoKα","","","0.022","","","0.0601","","","","","","","1.312","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519095","4.179","0.002","4.179","0.002","7.069","0.003","90","","90","","120","","106.91","0.09","","","293","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Ge2 Yb -","- Al2 Ge2 Yb -","- Al2 Ge2 Yb -","1","0.0833333","","Christian Kranenberg; Dirk Johrendt; Albrecht Mewis; Rainer Pottgen; Gunter Kotzyba; Carsten Rosenhahn; Bernd D Mosel","Structure and properties of the compounds LnAl2X2 (Ln=Eu, Yb; X=Si, Ge)","Solid State Sciences","2000","2","","215","222","","","x-ray","0.71073","MoKα","","","0.024","","","0.05","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519096","4.214","0.001","4.214","0.001","7.32","0.001","90","","90","","120","","112.57","0.04","","","293","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Eu Ge2 -","- Al2 Eu Ge2 -","- Al2 Eu Ge2 -","1","0.0833333","","Christian Kranenberg; Dirk Johrendt; Albrecht Mewis; Rainer Pottgen; Gunter Kotzyba; Carsten Rosenhahn; Bernd D Mosel","Structure and properties of the compounds LnAl2X2 (Ln=Eu, Yb; X=Si, Ge)","Solid State Sciences","2000","2","","215","222","","","x-ray","0.71073","MoKα","","","0.014","","","0.022","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519097","4.181","0.001","4.181","0.001","7.259","0.001","90","","90","","120","","109.89","0.04","","","293","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Eu Si2 -","- Al2 Eu Si2 -","- Al2 Eu Si2 -","1","0.0833333","","Christian Kranenberg; Dirk Johrendt; Albrecht Mewis; Rainer Pottgen; Gunter Kotzyba; Carsten Rosenhahn; Bernd D Mosel","Structure and properties of the compounds LnAl2X2 (Ln=Eu, Yb; X=Si, Ge)","Solid State Sciences","2000","2","","215","222","","","x-ray","0.71073","MoKα","","","0.01","","","0.024","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520793","8.435","","8.435","","10.39","","90","","90","","120","","640.201","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs3 (Sb2 I9)","","- Cs3 I9 Sb2 -","- Cs3 I9 Sb2 -","- Cs3 I9 Sb2 -","1","0.0833333","","Arakcheeva, A.V.; Novikova, M.S.; Lubman, G.U.; Zaitsev, A.I.","Perovskite-like modification of Cs3 Sb2 I9 as a member of the OD family A3 B2 X9","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1999","40","","705","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","140337","2020-10-21","18:00:00",""
"1520939","5.692","","5.692","","13.785","","90","","90","","120","","386.783","","","","","","","","","","","","","7","P -3 m 1","-P 3 2""","164","","Mg2 (Zn0.68 Fe0.26 Al1.06) (Sn1.21 Fe0.79) Al9.71 O22 (O H)2","","- Al10.77 Fe1.05 H2 Mg2 O24 Sn1.21 Zn0.68 -","- Al10.769 Fe1.05 Mg2 O24 Sn1.21 Zn0.68 -","- Al10.769 Fe1.05 Mg2 O24 Sn1.21 Zn0.68 -","1","0.0833333","","Chen, J.-Z.; Shi, Y.-C.; Pan, Z.-L.; Peng, Z.-Z.","The crystal structure and crystal chemistry of a new mineral, pengzhizongite-6H","Diqiu Kexue","1989","14","","413","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521049","4.034","","4.034","","14.604","","90","","90","","120","","205.814","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ca3 Cu2 Zn2 P4","","- Ca3 Cu2 P4 Zn2 -","- Ca3 Cu2 P4 Zn2 -","- Ca3 Cu2 P4 Zn2 -","1","0.0833333","","Frik, L.; Mewis, A.","Stapelvarianten aus Sr Pt Sb - und Ca Al2 Si2 - analogen Baubloecken","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","126","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","140680","2020-10-21","18:00:00",""
"1521053","4.15","","4.15","","15.21","","90","","90","","120","","226.859","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Eu3 Cu2 Zn2 P4","","- Cu2 Eu3 P4 Zn2 -","- Cu2 Eu3 P4 Zn2 -","- Cu2 Eu3 P4 Zn2 -","1","0.0833333","","Frik, L.; Mewis, A.","Stapelvarianten aus Sr Pt Sb - und Ca Al2 Si2 - analogen Baubloecken","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","126","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","140684","2020-10-21","18:00:00",""
"1521079","4.5253","","4.5253","","4.7214","","90","","90","","120","","83.733","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sr Al2 D2","","- Al2 D2 Sr -","- Al2 D2 Sr -","- Al2 D2 Sr -","1","0.0833333","","Gingl, F.; Vogt, T.; Akiba, E.","Trigonal Sr Al2 H2: the first Zintl phase hydride","Journal of Alloys Compd.","2000","306","","127","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521383","7.665","","7.665","","9.36","","90","","90","","120","","476.245","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Zn Ni10 P3","","- Ni10 P3 Zn -","- Ni10 P3 Zn -","- Ni30 P9 Zn3 -","3","0.25","","Keimes, V.; Blume, H.M.; Mewis, A.","Darstellung und Kristallstruktur von A Ni10 P3 (A: Zn, Ga, Sn, Sb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","207","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521384","7.674","","7.674","","9.621","","90","","90","","120","","490.676","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sn Ni10 P3","","- Ni10 P3 Sn -","- Ni10 P3 Sn -","- Ni30 P9 Sn3 -","3","0.25","","Keimes, V.; Blume, H.M.; Mewis, A.","Darstellung und Kristallstruktur von A Ni10 P3 (A: Zn, Ga, Sn, Sb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","207","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521447","4.195","","4.195","","6.581","","90","","90","","120","","100.297","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Y Al2 Si2","","- Al2 Si2 Y -","- Al2 Si2 Y -","- Al2 Si2 Y -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","Untersuchungen zum Existenzgebiet des Ca Al2 Si2 Strukturtyps bei ternaeren Siliciden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1787","1793","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521448","4.202","","4.202","","6.723","","90","","90","","120","","102.803","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sm Al2 Si2","","- Al2 Si2 Sm -","- Al2 Si2 Sm -","- Al2 Si2 Sm -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","Untersuchungen zum Existenzgebiet des Ca Al2 Si2 Strukturtyps bei ternaeren Siliciden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1787","1793","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521449","4.184","","4.184","","6.596","","90","","90","","120","","99.999","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Tb Al2 Si2","","- Al2 Si2 Tb -","- Al2 Si2 Tb -","- Al2 Si2 Tb -","1","0.0833333","","Kranenberg, C.; Mewis, A.; Johrendt, D.","Untersuchungen zum Existenzgebiet des Ca Al2 Si2 Strukturtyps bei ternaeren Siliciden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1787","1793","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521450","4.185","","4.185","","6.569","","90","","90","","120","","99.637","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Dy Al2 Si2","","- Al2 Dy Si2 -","- Al2 Dy Si2 -","- Al2 Dy Si2 -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","Untersuchungen zum Existenzgebiet des Ca Al2 Si2 Strukturtyps bei ternaeren Siliciden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1787","1793","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521699","3.851","","3.851","","6.664","","90","","90","","120","","85.588","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Gd2 O2 S -","- Gd2 O2 S -","- Gd2 O2 S -","1","0.0833333","","Onoda, M.; Chen, X.-A.; Sato, A.; Wada, H.","Crystal structure of Cu2 Gd2/3 S2: interlayer short-range order of Gd vacancies","Journal of Solid State Chemistry","2000","152","","332","339","10.1006/jssc.2000.8652","","","","","","","","","","","","","","","","","","","","warnings","has coordinates","249449","2020-10-21","18:00:00",""
"1521921","23.71","","23.71","","6.703","","90","","90","","120","","3263.34","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sc98 B54 C157","","- C157 B54 Sc98 -","- C157.005 B53.9946 Sc98 -","- C157.005 B53.9946 Sc98 -","1","0.0833333","","Shi, Y.; Tanaka, T.; Leithe-Jasper, A.; Bando, Y.; Bourgeois, L.","Sc2 B1.1 C3.2, a new rare-earth boron carbide with graphite-like layers","Journal of Solid State Chemistry","1999","148","","442","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","142138","2020-10-21","18:00:00",""
"1522026","2.8048","","2.8048","","4.2509","","90","","90","","120","","28.961","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Co O1.92 -","- Co O1.92 -","- Co O1.92 -","1","0.0833333","","Tarascon, J.M.; Seguin, L.; Vaughan, G.; Anne, M.; Chabre, Y.; Strobel, P.; Amatucci, G.","In situ structural and electrochemical study of Ni1-x Cox O2 metastable oxides prepared by soft chemistry","Journal of Solid State Chemistry","1999","147","","410","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522027","2.8208","","2.8208","","4.2403","","90","","90","","120","","29.219","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Co O2 -","- Co O2 -","- Co O2 -","1","0.0833333","","Tarascon, J.M.; Vaughan, G.; Anne, M.; Chabre, Y.; Seguin, L.; Strobel, P.; Amatucci, G.","In situ structural and electrochemical study of Ni1-x Cox O2 metastable oxides prepared by soft chemistry","Journal of Solid State Chemistry","1999","147","","410","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522107","5.7179","","5.7179","","11.9865","","90","","90","","120","","339.388","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ba Ir0.2 Co0.8 O2.83","","- Ba Co0.8 Ir0.2 O2.83 -","- Ba Co0.7996 Ir0.2004 O2.83 -","- Ba5 Co3.998 Ir1.002 O14.15 -","5","0.416667","","Vente, J.F.; Battle, P.D.","Structural chemistry and electronic properties of the hexagonal perovskites Ba Ir1-x Cox O3-d (x = 0.5, 0.7, 0.8)","Journal of Solid State Chemistry","2000","152","","361","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522664","8.958","","8.958","","5.623","","90","","90","","120","","390.77","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pd13 Tl9 -","- Pd13 Tl9 -","- Pd13 Tl9 -","1","0.0833333","","Panday, P.K.; Schubert, K.","Strukturuntersuchungen in einigen Mischungen T-B3-B4 (T= Mn, Fe, Co, Ir, Ni, Pd; B3= Al, Ga, Tl; B4= Si, Ge)","Journal of the Less-Common Metals","1969","18","","175","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522857","8.958","","8.958","","5.623","","90","","90","","120","","390.77","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pd13 Tl9 -","- Pd13 Tl9 -","- Pd13 Tl9 -","1","0.0833333","","Schubert, K.; Panday, P.K.; Biswas, T.K.; Bhan, S.; Frank, K.","Einige Strukturdaten metallischer Phasen, 13. Mitteilung","Naturwissenschaften","1968","55","","542","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522961","4.375","","4.375","","8.257","","90","","90","","120","","136.87","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ga4.15 Li4.85 -","- Ga4.15 Li4.85 -","- Ga4.15 Li4.85 -","1","0.0833333","","Stoehr, J.; Schaefer, H.","Darstellung und Struktur von Li5 Ga4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","474","","221","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523256","7.978","","7.978","","5.025","","90","","90","","120","","276.984","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Ga9 Ni12 Pd -","- Ga9 Ni11.999 Pd0.9997 -","- Ga9 Ni11.999 Pd0.9997 -","1","0.0833333","","Bhargava, M.K.; Schubert, K.","Zur Konstitution der Mischung Ni-Pd-Ga","Zeitschrift fuer Metallkunde","1975","66","","542","545","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523758","4.112","","4.112","","4.958","","90","","90","","120","","72.601","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Al3 (Co0.275 Cu0.725)2","","- Al3 Co0.55 Cu1.45 -","- Al3 Co0.55 Cu1.45 -","- Al3 Co0.55 Cu1.45 -","1","0.0833333","","Grushko, B.; Urban, K.; Freiburg, Ch.","An Al~3~Ni~2~-type phase in the Al-Cu-Co system","Scripta Metallurgica et Materialia","1991","25","11","2533","2536","10.1016/0956-716X(91)90063-7","","","","","","","","","","","","","","","","","","","","","has coordinates","174933","2020-10-21","18:00:00",""
"1523874","4.904","","4.904","","3.52","","90","","90","","120","","73.312","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Hg2 Nd -","- Hg2 Nd -","- Hg2 Nd -","1","0.0833333","","Iandelli, A.; Palenzona, A.","On the occurence of the M X2 phases of rare earths with the IB, IIB, and IIB group elements and their crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523875","4.896","","4.896","","3.534","","90","","90","","120","","73.363","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Hg2 Yb -","- Hg2 Yb -","- Hg2 Yb -","1","0.0833333","","Iandelli, A.; Palenzona, A.","On the occurence of the M X2 phases of rare earths with the IB, IIB, and IIB group elements and their crystal crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523955","5.651","","5.651","","7.392","","90","","90","","120","","204.429","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","K3 V (V O4)2","","- K3 O8 V3 -","- K3 O8 V3 -","- K3 O8 V3 -","1","0.0833333","","Abriel, W.; Rau, F.; Range, K.J.","High pressure synthesis of K3 V (V O4)2, a new compound with Glaserite type structure","Materials Research Bulletin","1980","15","","1099","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","144585","2020-10-21","18:00:00",""
"1524268","3.654","","3.654","","12.056","","90","","90","","120","","139.403","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Fe Ga2 S4 -","- Fe Ga2 S4 -","- Fe Ga2 S4 -","1","0.0833333","","Dogguy Smiri, L.; Dung, N.H.; Pardo, M.P.","Structure cristalline du polytype Fe Ga2 S4 alpha LT","Materials Research Bulletin","1980","15","","861","866","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524298","5.817","","5.817","","7.623","","90","","90","","120","","223.385","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Rb In (Mo O4)2","","- In Mo2 O8 Rb -","- In Mo2 O8 Rb -","- In Mo2 O8 Rb -","1","0.0833333","","Efremov, V.A.; Trunov, V.K.; Velikodnyi, Yu.A.","Trigonal binary tungstates and molybdates of alkali and trivalent elements","Kristallografiya","1972","17","","1135","1139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524307","4.9789","","4.9789","","4.0336","","90","","90","","120","","86.594","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Fe Ni4 Th","","- Fe0.5 Ni0.5 Th -","- Fe0.5 Ni0.5 Th -","- Fe0.5 Ni0.5 Th -","1","0.0833333","","Elemans, J.B.A.A.; Buschow, K.H.J.; Zandbergen, H.W.; de Jong, J.P.","Magnetic order in the pseudo-binary system Th (Fe1-x Nix)5","Physica Status Solidi, Sectio A: Applied Research","1975","29","","595","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524582","5.043","","5.043","","3.445","","90","","90","","120","","75.875","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Cd2 Pr -","- Cd2 Pr -","- Cd2 Pr -","1","0.0833333","","Iandelli, A.; Palenzona, A.","On the occurence of the M X2 phases of the rare earths with the IB, IIb and IIB group elements and their crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524583","4.979","","4.979","","3.458","","90","","90","","120","","74.24","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Cd2 Sm -","- Cd2 Sm -","- Cd2 Sm -","1","0.0833333","","Iandelli, A.; Palenzona, A.","On the occurence of the M X2 phases of the rare earths with the IB, IIB and IIIB group elements and their crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524584","4.88","","4.88","","3.413","","90","","90","","120","","70.389","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Cd2 Tm -","- Cd2 Tm -","- Cd2 Tm -","1","0.0833333","","Iandelli, A.; Palenzona, A.","On the occurence of the M X2 phases of the rare earths with the IB, IIB and IIIB group elements and their crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525183","4.143","","4.143","","7.034","","90","","90","","120","","104.559","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Eu Mn2 P2 -","- Eu Mn2 P2 -","- Eu Mn2 P2 -","1","0.0833333","","Ruehl, R.; Jeitschko, W.","New pnictides with Ce2 O2 S - type structure","Materials Research Bulletin","1979","14","","513","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525184","4.287","","4.287","","7.225","","90","","90","","120","","114.994","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Eu Mn2 As2","","- As2 Eu Mn2 -","- As2 Eu Mn2 -","- As2 Eu Mn2 -","1","0.0833333","","Ruehl, R.; Jeitschko, W.","New pnictides with Ce2 O2 S - type structure","Materials Research Bulletin","1979","14","","513","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525185","4.57","","4.57","","7.66","","90","","90","","120","","138.545","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Eu Mn2 Sb2 -","- Eu Mn2 Sb2 -","- Eu Mn2 Sb2 -","1","0.0833333","","Ruehl, R.; Jeitschko, W.","New pnictides with Ce2 O2 S - type structure","Materials Research Bulletin","1979","14","","513","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525186","4.226","","4.226","","6.964","","90","","90","","120","","107.708","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Yb Mn2 As2","","- As2 Mn2 Yb -","- As2 Mn2 Yb -","- As2 Mn2 Yb -","1","0.0833333","","Ruehl, R.; Jeitschko, W.","New pnictides with Ce2 O2 S - type structure","Materials Research Bulletin","1979","14","","513","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525187","4.522","","4.522","","7.439","","90","","90","","120","","131.737","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Yb Mn2 Sb2","","- Mn2 Sb2 Yb -","- Mn2 Sb2 Yb -","- Mn2 Sb2 Yb -","1","0.0833333","","Ruehl, R.; Jeitschko, W.","New pnictides with Ce2 O2 S - type structure","Materials Research Bulletin","1979","14","","513","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525825","3.887","","3.887","","6.709","","90","","90","","120","","87.784","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sm2 O2 S","","- O2 S Sm2 -","- O2 S Sm2 -","- O2 S Sm2 -","1","0.0833333","","Llanos, J.; Mujica, C.; Henriquez, A.; Gomez-Romero, P.; Molins, E.","Structure refinement of samarium monothio oxide","Journal of Alloys Compd.","2001","316","","90","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526412","5.3581","","5.3581","","5.2888","","90","","90","","120","","131.495","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Rb2 Pd C2","","- C2 Pd Rb2 -","- C2 Pd Rb2 -","- C2 Pd Rb2 -","1","0.0833333","","Ruschewitz, U.","Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M C2 mit A = Rb, Cs und M = Pd, Pt","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1231","1235","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526414","5.3688","","5.3688","","5.2245","","90","","90","","120","","130.416","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Rb2 Pt C2","","- C2 Pt Rb2 -","- C2 Pt Rb2 -","- C2 Pt Rb2 -","1","0.0833333","","Ruschewitz, U.","Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M C2 mit A = Rb, Cs und M = Pd, Pt","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1231","1235","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526416","5.6236","","5.6236","","5.2976","","90","","90","","120","","145.09","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 Pd C2","","- C2 Cs2 Pd -","- C2 Cs2 Pd -","- C2 Cs2 Pd -","1","0.0833333","","Ruschewitz, U.","Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M C2 mit A = Rb, Cs und M = Pd, Pt","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1231","1235","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526418","5.6301","","5.6301","","5.2294","","90","","90","","120","","143.554","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 Pt C2","","- C2 Cs2 Pt -","- C2 Cs2 Pt -","- C2 Cs2 Pt -","1","0.0833333","","Ruschewitz, U.","Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M C2 mit A = Rb, Cs und M = Pd, Pt","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1231","1235","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526492","3.9912","","3.9912","","5.4709","","90","","90","","120","","75.474","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ir Te2 -","- Ir Te2 -","- Ir Te2 -","1","0.0833333","","Jobic, S.; Brec, R.; Pasturel, A.; Koo, H.-J.; Whangbo Myunghwan","Theoretical study of possible iridium ditelluride phases attainable under high pressure","Journal of Solid State Chemistry","2001","162","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526622","4.478","","4.478","","7.17","","90","","90","","120","","124.514","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Li Mn0.98 Cu0.19 Te2","","- Cu0.19 Li Mn0.98 Te2 -","- Cu0.19 Li Mn0.98 Te2 -","- Cu0.19 Li Mn0.98 Te2 -","1","0.0833333","","Kim, J.; Hughbanks, T.","Direct and indirect preparation of layered quaternary manganese tellurides; A Mnx My Te2 (A= Li, Na; M= Cu, Ag; x+y<= 2)","Journal of Alloys Compd.","2001","327","","116","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526623","4.4901","","4.4901","","7.5364","","90","","90","","120","","131.585","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Na0.91 Mn1.01 Cu0.98 Te2","","- Cu0.98 Mn1.01 Na0.91 Te2 -","- Cu0.98 Mn1.01 Na0.91 Te2 -","- Cu0.98 Mn1.01 Na0.91 Te2 -","1","0.0833333","","Kim, J.; Hughbanks, T.","Direct and indirect preparation of layered quaternary manganese tellurides; A Mnx My Te2 (A = Li, Na; M = Cu, Ag; x+y<=2)","Journal of Alloys Compd.","2001","327","","116","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","147851","2020-10-21","18:00:00",""
"1526698","5.50644","","5.50644","","4.10054","","90","","90","","120","","107.675","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Eu2 Mg D6","","- D6 Eu2 Mg -","- D6 Eu2 Mg -","- D6 Eu2 Mg -","1","0.0833333","","Kohlmann, H.; Bertheville, B.; Yvon, K.; Hansen, T.","High-pressure synthesis of novel europium magnesium hydrides","Journal of Alloys Compd.","2001","322","","59","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526793","3.4145","","3.4145","","5.816","","90","","90","","120","","58.723","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cu0.21 Ti S2","","- Cu0.21 S2 Ti -","- Cu0.2106 S2 Ti -","- Cu0.2106 S2 Ti -","1","0.0833333","","Kusawake, T.; Wey, M.Y.; Takahashi, Y.; Ohshima, K.I.","X-ray structure analysis and electron density distributions of the layered compounds Cux Ti S2","Journal of Physics: Condensed Matter","2001","13","","9913","9921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526797","3.4146","","3.4146","","5.8552","","90","","90","","120","","59.122","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cu0.375 Ti S2","","- Cu0.375 S2 Ti -","- Cu0.3752 S2 Ti -","- Cu0.3752 S2 Ti -","1","0.0833333","","Kusawake, T.; Takahashi, Y.; Ohshima, K.I.","Structural analysis of the layered compounds Cux Ti S2","Molecular Crystals and Liquid Crystals","2000","341","","93","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527147","6.836","","6.836","","7.239","","90","","90","","120","","292.963","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Pd3 (P S4)2","","- P2 Pd3 S8 -","- P2 Pd3 S8 -","- P2 Pd3 S8 -","1","0.0833333","","Bither, T.A.; Young, H.S.; Donohue, P.C.","Palladium and Platinum Phosphochalcogenides - Synthesis and Properties","Journal of Solid State Chemistry","1971","3","","300","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","148519","2020-10-21","18:00:00",""
"1527353","4.047","","4.047","","5.33","","90","","90","","120","","75.6","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ba Si2 -","- Ba Si2 -","- Ba Si2 -","1","0.0833333","","Evers, J.; Oehlinger, G.; Weiss, A.","Kristallstruktur von Bariumdisilicid bei hohen Drucken","Angewandte Chemie (German Edition)","1977","89","","673","674","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527401","5.821","","5.821","","10.437","","90","","90","","120","","306.268","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","K4 Zr5 O12","","- K4 O12 Zr5 -","- K4 O12 Zr5 -","- K4 O12 Zr5 -","1","0.0833333","","Gatehouse, B.M.; Nesbit, M.C.","The Crystal Structure of the 2:5 phase in the K2 O - Zr O2 System: K4 Zr5 O12, a Compound with Octahedral and Trigonal Prismatic Zirconium(IV) Coordination","Journal of Solid State Chemistry","1980","31","","53","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","148966","2020-10-21","18:00:00",""
"1527528","8.42","","8.42","","4.59","","90","","90","","120","","281.817","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Li2 (Mn F6)","","- F6 Li2 Mn -","- F6 Li2 Mn -","- F18 Li6 Mn3 -","3","0.25","","Hoppe, W.; Liebe, W.; Daehne, W.","Ueber Fluoromanganate der Alkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1961","307","","276","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527893","5.723","","5.723","","7.216","","90","","90","","120","","204.68","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Na Tl3 (S O3)2","","- Na O6 S2 Tl3 -","- Na O6 S2 Tl3 -","- Na O6 S2 Tl3 -","1","0.0833333","","Oddon, Y.; Pepe, G.; Tranquard, A.","Crystal structure of sodium trithallium(I) sulphite, Tl3 Na (S O3)2","Journal of Chemical Research (Synopsis)","1977","1977","","138","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528016","5.866","","5.866","","14.44","","90","","90","","120","","430.31","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ba2 In Ru O6","","- Ba2 In O6 Ru -","- Ba2 In O6 Ru -","- Ba6 In3 O18 Ru3 -","3","0.25","","Schaller, H.U.; Kemmler-Sack, S.","Ueber Ruthenium-Perowskite vom Typ Ba2 B Ru O6 und Ba3 B Ru2 O9 mit B= Indium, Rhodium","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","473","","178","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528021","4.092","","4.092","","7.186","","90","","90","","120","","104.205","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Cu3 P -","- Cu3 P -","- Cu6 P2 -","2","0.166667","","Schlenger, H.; Jacobs, H.; Juza, R.","Ternaere Phasen des Lithiums mit Kupfer und Phosphor","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","385","","177","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528022","4.045","","4.045","","7.724","","90","","90","","120","","109.449","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Li2 Cu P","","- Cu Li2 P -","- Cu0.995 Li1.99 P0.995 -","- Cu1.99 Li3.98 P1.99 -","2","0.166667","","Schlenger, H.; Jacobs, H.; Juza, R.","Ternaere Phasen des Lithiums mit Kupfer und Phosphor","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","385","","177","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528023","4.08","","4.08","","7.44","","90","","90","","120","","107.257","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Li0.96 Cu1.88 P","","- Cu1.88 Li0.96 P -","- Cu1.88 Li0.96 P -","- Cu3.76 Li1.92 P2 -","2","0.166667","","Schlenger, H.; Jacobs, H.; Juza, R.","Ternaere Phasen des Lithiums mit Kupfer und Phosphor","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","385","","177","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528031","4.247","","4.247","","16.448","","90","","90","","120","","256.926","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Li2 Zn Si","","- Li2 Si Zn -","- Li2 Si Zn -","- Li8 Si4 Zn4 -","4","0.333333","","Schoenemann, H.; Jacobs, H.; Schuster, H.U.","Zur Kenntnis des Li2 Zn Si","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","382","","40","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528148","3.42","","3.42","","22.88","","90","","90","","120","","231.76","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Ti5.36 S8","","- S8 Ti5.36 -","- S8 Ti5.36 -","- S8 Ti5.36 -","1","0.0833333","","Tronc, E.; Huber, M.","Polytypisme dans le systeme titane-soufre","Journal of Physics and Chemistry of Solids","1973","34","","2045","2058","","","","","","","","","","","","","","","","","","","","","","has coordinates","150092","2020-10-21","18:00:00",""
"1528165","3.6","","3.6","","5.83","","90","","90","","120","","65.434","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","V Cl2","","- Cl2 V -","- Cl2 V -","- Cl2 V -","1","0.0833333","","Villadsen, J.","Note on the crystal structure of vanadium dichloride","Acta Chemica Scandinavica (1-27,1973-42,1988)","1959","13","","2146","2146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528269","3.3803","","3.3803","","6.1381","","90","","90","","120","","60.74","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Li V S2","","- Li S2 V -","- Li S2 V -","- Li S2 V -","1","0.0833333","","van Laar, B.; Ijdo, D.J.W.","Preparation, crystal structure, and magnetic structure of Li Cr S2 and Li V S2","Journal of Solid State Chemistry","1971","3","","590","595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528376","5.2145","","5.2145","","7.8165","","90","","90","","120","","184.064","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ba Zr (P O4)2","","- Ba O8 P2 Zr -","- Ba O8 P2 Zr -","- Ba O8 P2 Zr -","1","0.0833333","","Bregiroux, D.; Caciuffo, R.; Popa, K.; Raison, P.E.; Jardin, R.; Brunelli, M.; Wallez, G.; Quarton, M.; Ferrero, C.","Crystal structure and thermal expansion of the low- and high-temperature forms of Ba M(IV) (P O4)2 compounds (M = Ti, Zr, Hf and Sn)","Journal of Solid State Chemistry","2009","182","","1115","1120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528428","4.082","","4.082","","6.4744","","90","","90","","120","","93.428","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Tb Cu Se2","","- Cu Se2 Tb -","- Cu Se2 Tb -","- Cu Se2 Tb -","1","0.0833333","","Daszkiewicz, M.; Shemet, V.Ya.; Gulay, L.D.; Pietraszko, A.","Comparative investigation of the crystal structure of Ln Cu Se2 compounds (Ln = Tb, Dy, Ho, Er, Tm, Yb and Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","1201","1204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528429","4.0699","","4.0699","","6.459","","90","","90","","120","","92.654","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Dy Cu Se2","","- Cu Dy Se2 -","- Cu Dy Se2 -","- Cu Dy Se2 -","1","0.0833333","","Daszkiewicz, M.; Gulay, L.D.; Shemet, V.Ya.; Pietraszko, A.","Comparative investigation of the crystal structure of Ln Cu Se2 compounds (Ln = Tb, Dy, Ho, Er, Tm, Yb and Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","1201","1204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528430","4.0565","","4.0565","","6.463","","90","","90","","120","","92.102","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ho Cu Se2","","- Cu Ho Se2 -","- Cu Ho Se2 -","- Cu Ho Se2 -","1","0.0833333","","Daszkiewicz, M.; Gulay, L.D.; Shemet, V.Ya.; Pietraszko, A.","Comparative investigation of the crystal structure of Ln Cu Se2 compounds (Ln = Tb, Dy, Ho, Er, Tm, Yb and Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","1201","1204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528431","4.0455","","4.0455","","6.4421","","90","","90","","120","","91.307","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Er Cu Se2","","- Cu Er Se2 -","- Cu Er Se2 -","- Cu Er Se2 -","1","0.0833333","","Daszkiewicz, M.; Gulay, L.D.; Shemet, V.Ya.; Pietraszko, A.","Comparative investigation of the crystal structure of Ln Cu Se2 compounds (Ln = Tb, Dy, Ho, Er, Tm, Yb and Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","1201","1204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528432","4.0279","","4.0279","","6.4423","","90","","90","","120","","90.517","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Tm Cu Se2","","- Cu Se2 Tm -","- Cu Se2 Tm -","- Cu Se2 Tm -","1","0.0833333","","Daszkiewicz, M.; Gulay, L.D.; Shemet, V.Ya.; Pietraszko, A.","Comparative investigation of the crystal structure of Ln Cu Se2 compounds (Ln = Tb, Dy, Ho, Er, Tm, Yb and Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","1201","1204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528433","4.0167","","4.0167","","6.443","","90","","90","","120","","90.024","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Yb Cu Se2","","- Cu Se2 Yb -","- Cu Se2 Yb -","- Cu Se2 Yb -","1","0.0833333","","Daszkiewicz, M.; Gulay, L.D.; Shemet, V.Ya.; Pietraszko, A.","Comparative investigation of the crystal structure of Ln Cu Se2 compounds (Ln = Tb, Dy, Ho, Er, Tm, Yb and Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","1201","1204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528434","4.0075","","4.0075","","6.4523","","90","","90","","120","","89.741","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Lu Cu Se2","","- Cu Lu Se2 -","- Cu Lu Se2 -","- Cu Lu Se2 -","1","0.0833333","","Daszkiewicz, M.; Gulay, L.D.; Shemet, V.Ya.; Pietraszko, A.","Comparative investigation of the crystal structure of Ln Cu Se2 compounds (Ln = Tb, Dy, Ho, Er, Tm, Yb and Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","1201","1204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528610","8.005","","8.005","","5.344","","90","","90","","120","","296.565","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","(Hg (H2 O)6) (Cl O4)2","","- Cl2 H12 Hg O14 -","- Cl2 H12 Hg O14 -","- Cl2 H12 Hg O14 -","1","0.0833333","","Johansson, G.; Sandstroem, M.","The crystal structure of Hexaaquamercury(II) perchlorate, (HG (H2 O)6) (CL O4)2","Acta Chemica Scandinavica, Series A: (28,1974-)","1978","32","","109","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528696","5.81249","","5.81249","","7.14368","","90","","90","","120","","209.015","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba3 Mn Nb2 O9 -","- Ba3 Mn Nb2 O9 -","- Ba3 Mn Nb2 O9 -","1","0.0833333","","Liu, Y.; Withers, R.L.; Whichello, A.P.; Noren, L.; Ting, V.; Fitz Gerald, J.D.; Brink, F.","A combined diffraction and dielectric properties investigation of Ba3 Mn Nb2 O9 complex perovskites","Journal of Solid State Chemistry","2005","178","","3389","3395","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528732","5.76","","5.76","","4.64","","90","","90","","120","","133.319","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","K2 Pt F6","","- F6 K2 Pt -","- F6 K2 Pt -","- F6 K2 Pt -","1","0.0833333","","Mellor, D.P.; Stephenson, N.C.","The Crystal Structure of Potassium Hexafluoroplatinate(IV)","Australian Journal of Scientific Research, Series A: Physical Sciences","1951","4","","406","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528777","6.522","","6.522","","7.012","","90","","90","","120","","258.306","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Cd Cu3 (O H)6 (N O3)2 H2 O","","- Cd Cu3 H8 N2 O13 -","- Cd Cu3 N1.9998 O12.9996 -","- Cd Cu3 N1.9998 O12.9996 -","1","0.0833333","","Oswald, H.R.","Kristallstruktur von Cadmium-Kupfer-Hydroxidnitrat, Cd Cu3 (O H)6 (N O3)2 H2 O","Helvetica Chimica Acta","1969","52","","2369","2380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528856","5.784","","5.784","","4.796","","90","","90","","120","","138.953","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","(N H4)2 (Si F6)","","- F6 H8 N2 Si -","- F6 H8 N2 Si -","- F6 H8 N2 Si -","1","0.0833333","","Schlemper, E.O.; Hamilton, W.C.","On the structure of trigonal ammonium fluorosilicate","Journal of Chemical Physics","1966","45","","408","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1528935","5.735","","5.735","","14.076","","90","","90","","120","","400.938","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ba2 Ni Os O6","","- Ba2 Ni O6 Os -","- Ba2 Ni O6 Os -","- Ba6 Ni3 O18 Os3 -","3","0.25","","Treiber, U.; Kemmler-Sack, S.","Untersuchungen an hexagonalen 6L-Perowskiten Ba2 B Os O6 mit B = Co, Ni","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","470","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529007","3.8","","3.8","","6.029","","90","","90","","120","","75.395","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cr1.37 Te1.25 Se0.75","","- Cr1.37 Se0.75 Te1.25 -","- Cr1.372 Se0.75 Te1.25 -","- Cr1.372 Se0.75 Te1.25 -","1","0.0833333","","Wontcheu, J.; Bensch, W.; Mankovsky, S.; Brecher, E.; Polesya, S.; Kremer, R.K.; Ebert, H.","Anion substitution effects on the structure and magnetism of the chromium chalcogenide Cr5 Te8 - Part III: Structures and magnetism of the high-temperature modification Cr(1+x) Q2 and the low-temperature modification Cr(5+x) Q8 (Q = Te, Se; Te:Se = 5:3)","Journal of Solid State Chemistry","2008","181","","1492","1505","","","","","","","","","","","","","","","","","","","","","","has coordinates","151917","2020-10-21","18:00:00",""
"1529008","3.8","","3.8","","6.029","","90","","90","","120","","75.395","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cr5.48 Te5 Se3","","- Cr5.48 Se3 Te5 -","- Cr5.4805 Se3 Te5 -","- Cr10.961 Se6 Te10 -","2","0.166667","","Wontcheu, J.; Bensch, W.; Mankovsky, S.; Ebert, H.; Brecher, E.; Polesya, S.; Kremer, R.K.","Anion substitution effects on the structure and magnetism of the chromium chalcogenide Cr5 Te8 - Part III: Structures and magnetism of the high-temperature modification Cr(1+x) Q2 and the low-temperature modification Cr(5+x) Q8 (Q = Te, Se; Te:Se = 5:3)","Journal of Solid State Chemistry","2008","181","","1492","1505","","","","","","","","","","","","","","","","","","","","","","has coordinates","151918","2020-10-21","18:00:00",""
"1529039","5.4647","","5.4647","","6.9105","","90","","90","","120","","178.72","","","","","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","(Ba Sr Ca) Mg (Si2 O8)","","- Ba Ca Mg O8 Si2 Sr -","- Ba Ca Mg O8 Si2 Sr -","- Ba Ca Mg O8 Si2 Sr -","1","0.0833333","","Yonesaki, Y.; Takei, T.; Kinomura, N.; Kumada, N.","Crystal structure of Eu(2+)-doped M3 Mg Si2 O8 (M: Ba, Sr, Ca) compounds and their emission properties","Journal of Solid State Chemistry","2009","182","","547","554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529579","6.249","","6.249","","5.086","","90","","90","","120","","172","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Cs2 Li (Ga F6)","","- Cs2 F6 Ga Li -","- Cs2 F6 Ga Li -","- Cs2 F6 Ga Li -","1","0.0833333","","Babel, D.; Haegele, R.","Strukturen caesiumhaltiger fluoride, III. Die kristallstrukturen der hexagonalen Elpasolithe: 12l-Cs2 Na Cr F6, 12L-Cs2 Na Fe F6 und 2L-Cs2 Li Ga F6","Journal of Solid State Chemistry","1976","18","","39","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529590","3.194","","3.194","","4.714","","90","","90","","120","","41.648","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Zn (O H)2","","- H2 O2 Zn -","- O2 Zn -","- O2 Zn -","1","0.0833333","","Baneeva, M.I.; Popova, S.V.","The analysis of zinc hydroxide under high pressures and temperatures","Geokhimiya","1969","1969","","1014","1016","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529663","12.4368","","12.4368","","6.6653","","90","","90","","120","","892.828","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Na2 (U Br6)","","- Br6 Na2 U -","- Br6 Na2 U -","- Br18 Na6 U3 -","3","0.25","","Bogacz, A.; Bros, J.P.; Hewat, A.W.; Gaune-Escard, M.; Taylor, J.C.","New fast-ion conductors from uranium halides - the U Cl6 / Na2 U Br6 structures","Journal of Physics C","1980","13","","5273","5278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529732","13.41","","13.41","","15.35","","90","","90","","120","","2390.54","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","K11.08 (Si25.2 Al10.8 O72) (H2 O)8.1","","- Al10.8 H16.2 K11.08 O80.1 Si25.2 -","- Al10.8 K11.08 O80.1 Si25.2 -","- Al10.8 K11.08 O80.1 Si25.2 -","1","0.0833333","","Cartlidge, S.; Keller, E.B.; Meier, W.M.","Role of potassium in the thermal stability of CHA- and EAB-type zeolites","Zeolites","1984","4","","226","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529752","3.5956","","3.5956","","4.928","","90","","90","","120","","55.175","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ca (O H)2","","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Chaix-Pluchery, O.; Niepce, J.-C.; Bouillot, J.; Pannetier, J.","Structural prereactional transformations in Ca (O H)2","Journal of Solid State Chemistry","1987","67","","225","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529788","3.459","","3.459","","6.1879","","90","","90","","120","","64.117","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Li Ti S2","","- Li S2 Ti -","- Li S2 Ti -","- Li S2 Ti -","1","0.0833333","","Dahn, J.R.; McKinnon, W.R.; Haering, R.R.; Buyers, W.J.L.; Powell, B.M.","Structure determinatiom of LiX Ti S2 by neutron diffraction","Canadian Journal of Physics","1980","58","","207","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529899","3.047","","3.047","","7.778","","90","","90","","120","","62.538","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Na Fe2 O3","","- Fe2 Na O3 -","- Fe2 Na O3 -","- Fe2 Na O3 -","1","0.0833333","","El Balkhi, A.M.; Courtois, A.; Zanne, M.; Gleitzer, C.","Structure de Na Fe2 O3 beta","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1977","285","","129","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529970","3.64","","3.64","","12.037","","90","","90","","120","","138.118","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cr0.87 Ga1.8 S4 -","- Cr0.87 Ga1.8 S4 -","- Cr0.87 Ga1.8 S4 -","1","0.0833333","","Gastaldi, L.; Viticoli, S.; Guittard, M.; Simeone, M.G.; Tomas, A.","Structural properties of layer Cr.87 Ga1.80 S4 compound","Journal of Solid State Chemistry","1988","77","","250","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529999","4.13","","4.13","","7.145","","90","","90","","120","","105.544","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ca Al2 Si2","","- Al2 Ca Si2 -","- Al2 Ca Si2 -","- Al2 Ca Si2 -","1","0.0833333","","Gladyshevskii, E.I.; Kripyakevich, P.I.; Bodak, O.I.","The crystal structure of the compound Ca Al2 Si2 and its analogues","Ukrains'kii Fizichnii Zhurnal (Ukrainian Edition)","1967","12","","447","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530000","3.763","","3.763","","6.118","","90","","90","","120","","75.025","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Fe0.16 Zr Se1.94","","- Fe0.16 Se1.94 Zr -","- Fe0.16 Se1.94 Zr -","- Fe0.16 Se1.94 Zr -","1","0.0833333","","Gleizes, A.; Ibers, J.A.; Revelli, J.","Structures of a semiconducting and a metallic phase in the Fe Y Zr Se2 system","Journal of Solid State Chemistry","1976","17","","363","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530038","3.645","","3.645","","6.81","","90","","90","","120","","78.356","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cd Tl S2","","- Cd S2 Tl -","- Cd S2 Tl -","- Cd S2 Tl -","1","0.0833333","","Guseinov, G.D.; Guseinov, G.G.; Ismailov, M.Z.; Godzhaev, E.M.","About the structure and physical properties of new semiconductor compounds Cd Tl S2 (Se2, Te2)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1969","5","","33","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530048","3.927","","3.927","","31.83","","90","","90","","120","","425.098","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Zn1.24 In2.46 S3.15 Se1.85","","- In2.46 S3.15 Se1.85 Zn1.24 -","- In2.46 S3.15 Se1.85 Zn1.24 -","- In4.92 S6.3 Se3.7 Zn2.48 -","2","0.166667","","Haeuseler, H.; Himmrich, M.; Cansiz, A.; Jung, M.","Materials with layered structures: crystal structure of Zn1.25 In2.5 S3 Se2, a new polytype of Zn2 In2 S5 and the isotypic compounds Cd0.5 Ga2 In S5 and Hg0.8 Ga1.6 In1.2 S5","Journal of Solid State Chemistry","1988","74","","171","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","155011","2020-10-21","18:00:00",""
"1530286","5.662","","5.662","","7.976","","90","","90","","120","","221.44","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Cs V (Mo O4)2","","- Cs Mo2 O8 V -","- Cs Mo2 O8 V -","- Cs Mo2 O8 V -","1","0.0833333","","Lii, K.-H.; Wang, C.-C.; Chiang, R.K.; Wang, S.-L.","The Structure of Cs V (M O4)2","Journal of Solid State Chemistry","1989","80","","144","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530311","7.638","","7.638","","4.876","","90","","90","","120","","246.351","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ni I2 (H2 O)6","","- H12 I2 Ni O6 -","- H12 I2 Ni O6 -","- H12 I2 Ni O6 -","1","0.0833333","","Louer, M.; Grandjean, D.; Weigel, D.","Structure cristalline et expansion thermique de l'iodure de nickel hexahydrate","Journal of Solid State Chemistry","1973","7","","222","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","206183","2020-10-21","18:00:00",""
"1530351","6.0421","","6.0421","","7.4677","","90","","90","","120","","236.099","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Mg3 Nb6 O11 -","- Mg3 Nb6 O11 -","- Mg3 Nb6 O11 -","1","0.0833333","","Marinder, B.O.","Mg3 Nb6 O11 -an oxide containing isolated octahedra of niobium atoms. A structural determination and refinement from X-Ray powder film data","Chemica Scripta","1977","11","","97","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530365","20.438","","20.438","","8.096","","90","","90","","120","","2928.72","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","(N H4)3 (Mo2 O2 F9) (H2 O)0.89","","- F9 H13.78 Mo2 N3 O2.89 -","- F9 Mo2 N3 O2.88889 -","- F81 Mo18 N27 O26 -","9","0.75","","Mattes, R.; Mennemann, K.; Jaeckel, N.; Rieskamp, H.; Brockmeyer, H.J.","Structure and properties of the fluorine-rich oxofluoromolybdates Cs3 (Mo2 O6 F3), (N H4)3 (Mo2 O2 F9) and (N H4)2 (Mo O F5)","Journal of the Less-Common Metals","1980","76","","199","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530380","3.8381","","3.8381","","5.918","","90","","90","","120","","75.498","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Pu2 O3","","- O3 Pu2 -","- O3 Pu2 -","- O3 Pu2 -","1","0.0833333","","McCart, B.; Lander, G.H.; Aldred, A.T.","Structural and magnetic studies of hexagonal beta-plutonium(III)-242 oxide","Journal of Chemical Physics","1981","74","","5263","5268","","","","","","","","","","","","","","","","","","","","","","has coordinates","155465","2020-10-21","18:00:00",""
"1530446","5.797","","5.797","","18.905","","90","","90","","120","","550.192","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Ba8 Yb.5 Ti2 Nb4.5 O24","","- Ba8 Nb4.5 O24 Ti2 Yb0.5 -","- Ba8 Nb4.45 O24 Ti2.06 Yb0.49 -","- Ba8 Nb4.45 O24 Ti2.06 Yb0.49 -","1","0.0833333","","Mossner, B.; Kemmler-Sack, S.","8H-Perowskitstapelvarianten in den Systemen Ba O - (B2)3+ O3 - Ti O2 - Nb2 O5 (B=In,Lu,Yb)","Journal of the Less-Common Metals","1986","120","","203","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","155552","2020-10-21","18:00:00",""
"1530448","5.872","","5.872","","25.66","","90","","90","","120","","766.23","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Ba11 Re1.75 Nb1.75 W3.5 O32","","- Ba11 Nb1.75 O32 Re1.75 W3.5 -","- Ba11 Nb1.755 O32.01 Re1.755 W3.5 -","- Ba11 Nb1.755 O32.01 Re1.755 W3.5 -","1","0.0833333","","Mossner, M.; Kemmler-Sack, S.","Ba11 Re1.75 Nb1.75 W3.5 O32 - Die erste Perowskitstapelvariante mit 11 Schichten","Journal of the Less-Common Metals","1986","120","","267","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","155554","2020-10-21","18:00:00",""
"1530589","2.765","","2.765","","4.41","","90","","90","","120","","29.198","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Fe2 N -","- Fe2 N -","- Fe2 N -","1","0.0833333","","Pinsker, Z.G.; Kaverin, S.V.","The electron diffraction analysis of the structure of the hexagonal iron nitrides","Doklady Akademii Nauk SSSR","1954","96","","519","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530723","7.5037","","7.5037","","6.054","","90","","90","","120","","295.205","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 U Cl6","","- Cl6 Cs2 U -","- Cl6 Cs2 U -","- Cl6 Cs2 U -","1","0.0833333","","Schleid, T.; Meyer, G.; Morss, L.R.","Facile synthesis of U Cl4 and Th Cl4, metallothermic reductions of U Cl4 wih alkali metals and crystal structure refinements of U Cl3, U Cl4 and Cs2 U Cl6","Journal of the Less-Common Metals","1987","132","","69","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530823","4.33","","4.33","","23.95","","90","","90","","120","","388.877","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","(Bi0.5 Sb0.5)2 Te2","","- Bi Sb Te2 -","- Bi Sb Te2 -","- Bi3 Sb3 Te6 -","3","0.25","","Stasova, M.M.; Abrikosov, N.Kh.","The radiographical analysis of the solid solution in system Bi-Sb-Te","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1970","6","","1090","1094","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530901","3.413","","3.413","","5.717","","90","","90","","120","","57.673","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Ti1.083 S2","","- S2 Ti1.083 -","- S2 Ti1.083 -","- S2 Ti1.083 -","1","0.0833333","","Tronc, E.; Moret, R.","Structure refinement of nonstoichiometric Ti S2 (Ti1.083 S2)","Synthetic metals","1981","4","","113","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","156134","2020-10-21","18:00:00",""
"1531159","3.032","","3.032","","14.96","","90","","90","","120","","119.102","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg5 O4 (O H)2","","- H2 Mg5 O6 -","- H2 Mg5 O6 -","- H2 Mg5 O6 -","1","0.0833333","","Chizmeshya, A.V.G.; Sharma, R.; McKelvy, M.J.; Carpenter, R.W.; Bearat, H.","Density functional theory study of the decomposition of Mg (O H)2: a lamellar dehydroxylation model","Materials Chemistry and Physics","2002","77","","416","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","156509","2020-10-21","18:00:00",""
"1531161","3.048","","3.048","","12.362","","90","","90","","120","","99.46","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg4 O3 (O H)2","","- H2 Mg4 O5 -","- H2 Mg4 O5 -","- H2 Mg4 O5 -","1","0.0833333","","Chizmeshya, A.V.G.; McKelvy, M.J.; Sharma, R.; Carpenter, R.W.; Bearat, H.","Density functional theory study of the decomposition of Mg (O H)2: a lamellar dehydroxylation model","Materials Chemistry and Physics","2002","77","","416","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","156511","2020-10-21","18:00:00",""
"1531164","3.053","","3.053","","20.125","","90","","90","","120","","162.45","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg3 O2 (O H)2","","- H2 Mg3 O4 -","- H2 Mg3 O4 -","- H4 Mg6 O8 -","2","0.166667","","Chizmeshya, A.V.G.; McKelvy, M.J.; Sharma, R.; Carpenter, R.W.; Bearat, H.","Density functional theory study of the decomposition of Mg (O H)2: a lamellar dehydroxylation model","Materials Chemistry and Physics","2002","77","","416","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","156514","2020-10-21","18:00:00",""
"1531167","3.085","","3.085","","7.71","","90","","90","","120","","63.547","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg2 O (O H)2","","- H2 Mg2 O3 -","- H2 Mg2 O3 -","- H2 Mg2 O3 -","1","0.0833333","","Chizmeshya, A.V.G.; McKelvy, M.J.; Sharma, R.; Carpenter, R.W.; Bearat, H.","Density functional theory study of the decomposition of Mg (O H)2: a lamellar dehydroxylation model","Materials Chemistry and Physics","2002","77","","416","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","156517","2020-10-21","18:00:00",""
"1531171","3.112","","3.112","","12.768","","90","","90","","120","","107.086","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg3 O (O H)4","","- H4 Mg3 O5 -","- H4 Mg3 O5 -","- H4 Mg3 O5 -","1","0.0833333","","Chizmeshya, A.V.G.; McKelvy, M.J.; Carpenter, R.W.; Sharma, R.; Bearat, H.","Density functional theory study of the decomposition of Mg (O H)2: a lamellar dehydroxylation model","Materials Chemistry and Physics","2002","77","","416","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","156521","2020-10-21","18:00:00",""
"1531175","3.143","","3.143","","22.772","","90","","90","","120","","194.814","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg5 O (O H)8","","- H8 Mg5 O9 -","- H8 Mg5 O9 -","- H8 Mg5 O9 -","1","0.0833333","","Chizmeshya, A.V.G.; McKelvy, M.J.; Sharma, R.; Carpenter, R.W.; Bearat, H.","Density functional theory study of the decomposition of Mg (O H)2: a lamellar dehydroxylation model","Materials Chemistry and Physics","2002","77","","416","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","156525","2020-10-21","18:00:00",""
"1531248","10.9892","","10.9892","","6.1517","","90","","90","","120","","643.366","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cu2 (Zr Cl6)","","- Cl6 Cu2 Zr -","- Cl6 Cu2.02 Zr -","- Cl18 Cu6.06 Zr3 -","3","0.25","","Dattelbaum, A.M.; He, L.; Tsui, F.; Martin, J.D.","Synthesis and characterization of Cu2 Zr Cl6: a thermochromic, van Vleck paramagnet","Journal of Alloys Compd.","2002","338","","173","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531255","5.7777","","5.7777","","2.3571","","90","","90","","120","","68.143","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ba (Ti0.167 Nb0.667) O3","","- Ba Nb0.667 O3 Ti0.167 -","- Ba Nb0.667 O3 Ti0.167 -","- Ba Nb0.667 O3 Ti0.167 -","1","0.0833333","","Boullay, P.; Teneze, N.; Trolliard, G.; Mercurio, D.; Perez-Mato, J.M.","Superspace description of the hexagonal perovskites in the system (Ba5 Nb4 O15) - (Ba Ti O3) as modulated layered structures","Journal of Solid State Chemistry","2003","174","","209","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531258","5.7864","","5.7864","","2.3575","","90","","90","","120","","68.36","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ba (Ti0.091 Nb0.727) O3","","- Ba Nb0.727 O3 Ti0.091 -","- Ba Nb0.727 O3 Ti0.091 -","- Ba Nb0.727 O3 Ti0.091 -","1","0.0833333","","Boullay, P.; Teneze, N.; Mercurio, D.; Trolliard, G.; Perez-Mato, J.M.","Superspace description of the hexagonal perovskites in the system (Ba5 Nb4 O15) - (Ba Ti O3) as modulated layered structures","Journal of Solid State Chemistry","2003","174","","209","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531380","5.723","","5.723","","23.026","","90","","90","","120","","653.125","","","","","","","","","","","","","7","P -3 m 1","-P 3 2""","164","","Al18 ((Fe3.85 Zn1.93) Mg3.22) Ti O38 (O H)2","","- Al18 Fe3.85 H2 Mg3.22 O40 Ti Zn1.93 -","- Al18 Fe3.854 H2 Mg3.22 O40 Ti Zn1.926 -","- Al18 Fe3.854 H2 Mg3.22 O40 Ti Zn1.926 -","1","0.0833333","","Hejny, C.; Armbruster, T.","Polysomatism in hoegbomite: the crystal structures of 10T, 12H, 14Tand 24R polysomes","American Mineralogist","2002","87","","277","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531384","5.7","","5.7","","32.2","","90","","90","","120","","906.017","","","","","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","Al28 (Fe5 Mg5) (Fe Ti) O54 (O H)2","","- Al28 Fe6 H2 Mg5 O56 Ti -","- Al28 Fe6.0002 H2 Mg5.0002 O56 Ti -","- Al28 Fe6.0002 H2 Mg5.0002 O56 Ti -","1","0.0833333","","Hejny, C.; Armbruster, T.","Polysomatism in hoegbomite: the crystal structures of 10T, 12H, 14Tand 24R polysomes","American Mineralogist","2002","87","","277","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531404","5.754","","5.754","","11.475","","90","","90","","120","","329.021","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Pb3 Mn5 V2 O16","","- Mn5 O16 Pb3 V2 -","- Mn5 O16 Pb3 V2 -","- Mn5 O16 Pb3 V2 -","1","0.0833333","","Henry, N.; Abraham, F.; Burylo-Dhuime, L.; Mentre, O.","Pb3 Mn5 V2 O16: a new lead manganese vanadate with double Mn(II)/Mn(IV) valence","Solid State Sciences","2002","4","","1023","1029","","","","","","","","","","","","","","","","","","","","","","has coordinates","156870","2020-10-21","18:00:00",""
"1531415","5.7888","","5.7888","","4.6506","","90","","90","","120","","134.964","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","K2 (Ir F6)","","- F6 Ir K2 -","- F6 Ir K2 -","- F6 Ir K2 -","1","0.0833333","","Fitz, H.; Bartlett, N.; Mueller, B.G.; Grandejus, O.","Einkristalluntersuchungen an Li M F6 (M = Rh, Ir), Li2 Rh F6 und K2Ir F6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","133","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531680","5.7567","","5.7567","","7.0624","","90","","90","","120","","202.689","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","(Pb0.377 Ba0.623) (Mg0.333 Nb0.667) O3","","- Ba0.623 Mg0.333 Nb0.667 O3 Pb0.377 -","- Ba0.623333 Mg0.333333 Nb0.666667 O3 Pb0.376667 -","- Ba1.87 Mg Nb2 O9 Pb1.13 -","3","0.25","","Joseph, J.; Vimala, T.M.; Dias; Murthy, V.R.K.","Structural investigations on Bax Pb1-x (Mg1/3 Nb2/3) O3 solid solutions","Japanese Journal of Applied Physics, Part 1","2002","41","","3010","3014","","","","","","","","","","","","","","","","","","","","","","has coordinates","157216","2020-10-21","18:00:00",""
"1531682","3.8951","","3.8951","","6.2714","","90","","90","","120","","82.401","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu1.45 Er0.85 S2 -","- Cu1.452 Er0.851 S2 -","- Cu1.452 Er0.851 S2 -","1","0.0833333","","Lauxmann, P.; Schleid, T.","Cu1.45 Er0.85 S2: ein Kupfer(I) - Erbium(III) - Sulfid mit kationendefekter (Ca Al2 Si2)-Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","9","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531683","5.769","","5.769","","7.0771","","90","","90","","120","","203.98","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","(Pb0.19 Ba0.81) (Mg0.333 Nb0.667) O3","","- Ba0.81 Mg0.333 Nb0.667 O3 Pb0.19 -","- Ba0.81 Mg0.333333 Nb0.666667 O3 Pb0.19 -","- Ba2.43 Mg Nb2 O9 Pb0.57 -","3","0.25","","Joseph, J.; Dias; Murthy, V.R.K.; Vimala, T.M.","Structural investigations on Bax Pb1-x (Mg1/3 Nb2/3) O3 solid solutions","Japanese Journal of Applied Physics, Part 1","2002","41","","3010","3014","","","","","","","","","","","","","","","","","","","","","","has coordinates","157219","2020-10-21","18:00:00",""
"1531686","5.774","","5.774","","7.0868","","90","","90","","120","","204.614","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ba (Mg0.333 Nb0.667) O3","","- Ba Mg0.333 Nb0.667 O3 -","- Ba Mg0.333333 Nb0.666667 O3 -","- Ba3 Mg Nb2 O9 -","3","0.25","","Joseph, J.; Dias; Vimala, T.M.; Murthy, V.R.K.","Structural investigations on Bax Pb1-x (Mg1/3 Nb2/3) O3 solid solutions","Japanese Journal of Applied Physics, Part 1","2002","41","","3010","3014","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531885","3.6556","","3.6556","","5.9973","","90","","90","","120","","69.407","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Y2 C D2","","- C D2 Y2 -","- C D2 Y2 -","- C D2 Y2 -","1","0.0833333","","Maehlen, J.P.; Yartys', V.A.; Hauback, B.C.","Structural studies of deuterides of yttrium carbide","Journal of Alloys Compd.","2003","351","","151","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532050","3.08208","","3.08208","","5.04052","","90","","90","","120","","41.466","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ti C0.5 D0.707","","- C0.5 D0.707 Ti -","- C0.5 D0.707 Ti -","- C D1.414 Ti2 -","2","0.166667","","Renaudin, G.; Yvon, K.; Aghajanyan, N.N.; Dolukhanyan, S.K.; Shekhtman, V.Sh.","Crystal structures and thermal properties of titanium carbo-deuterides as prepared by combustion synthesis","Journal of Alloys Compd.","2003","356","","120","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532066","3.807","","3.807","","6.352","","90","","90","","120","","79.727","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Li Cu Fe S2","","- Cu Fe Li S2 -","- Cu Fe Li S2 -","- Cu Fe Li S2 -","1","0.0833333","","Ramirez, R.; Mujica, C.; Buljan, A.; Llanos, J.","A family of new compounds derived from chalcopyrite. Common patterns in their electronic and crystal structures","Boletin de la Sociedad Chilena de Quimica","2001","46","","235","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532068","3.863","","3.863","","6.873","","90","","90","","120","","88.823","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Na Cu Fe S2","","- Cu Fe Na S2 -","- Cu Fe Na S2 -","- Cu Fe Na S2 -","1","0.0833333","","Ramirez, R.; Mujica, C.; Buljan, A.; Llanos, J.","A family of new compounds derived from chalcopyrite. Common patterns in their electronic and crystal structures","Boletin de la Sociedad Chilena de Quimica","2001","46","","235","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532080","4.111","","4.111","","6.917","","90","","90","","120","","101.238","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","La2 O1.5 F S","","- F La2 O1.5 S -","- F0.9998 La2 O1.5 S -","- F0.9998 La2 O1.5 S -","1","0.0833333","","Pauwels, D.; Laronze, H.; Demourgues, A.; Gravereau, P.; Guillen, F.; Isnard, O.; Tressaud, A.","Structural features of new rare earth-based mixed anions (O, S, F) compounds: relationships between optical absorption and rare earth environment","Solid State Sciences","2002","4","","1471","1479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532082","6.77","","6.77","","11.12","","90","","90","","120","","441.38","","","","","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","Mn12 (Mn0.5 Ca0.5) (Fe0.5 Sb0.5) Si2 O22","","- Ca0.5 Fe0.5 Mn12.5 O22 Sb0.5 Si2 -","- Ca0.5 Fe0.5 Mn12.5 O22 Sb0.5 Si2 -","- Ca0.5 Fe0.5 Mn12.5 O22 Sb0.5 Si2 -","1","0.0833333","","Rau, V.G.; Kurkutova, E.N.","Crystal structure of langbanite","Kristallografiya","1973","18","","508","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","157704","2020-10-21","18:00:00",""
"1532140","3.3104","","3.3104","","9.0085","","90","","90","","120","","85.496","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Cu0.45 Nb2 S2 C","","- C Cu0.45 Nb2 S2 -","- C Cu0.45 Nb2 S2 -","- C Cu0.45 Nb2 S2 -","1","0.0833333","","Sakamaki, K.; Wada, H.; Kawai, M.; Nozaki, H.; Onuki, Y.","Topochemical formation of van der Waals type niobium carbosulfide 1T-(Nb2 S2 C)","Journal of Alloys Compd.","2002","339","","283","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532141","3.3168","","3.3168","","9.0245","","90","","90","","120","","85.979","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Cu0.58 Nb2 S2 C","","- C Cu0.58 Nb2 S2 -","- C Cu0.58 Nb2 S2 -","- C Cu0.58 Nb2 S2 -","1","0.0833333","","Sakamaki, K.; Wada, H.; Nozaki, H.; Kawai, M.; Onuki, Y.","Topochemical formation of van der Waals type niobium carbosulfide 1T-(Nb2 S2 C)","Journal of Alloys Compd.","2002","339","","283","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532142","3.269","","3.269","","8.547","","90","","90","","120","","79.1","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Nb2 S2 C","","- C Nb2 S2 -","- C Nb2 S2 -","- C Nb2 S2 -","1","0.0833333","","Sakamaki, K.; Wada, H.; Kawai, M.; Nozaki, H.; Onuki, Y.","Topochemical formation of van der Waals type niobium carbosulfide 1T-(Nb2 S2 C)","Journal of Alloys Compd.","2002","339","","283","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532177","4.6106","","4.6106","","7.6954","","90","","90","","120","","141.67","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Nd2 S2 Te -","- Nd2 S2 Te -","- Nd2 S2 Te -","1","0.0833333","","Schleid, T.; Klein, E.K.","Nd2 S2 Te: Neodymium(III) sulfide telluride with (Ce2 O2 S)-type crystal structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","807","808","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532264","4.0112","","4.0112","","7.0551","","90","","90","","120","","98.307","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Pr2 O2 Se","","- O2 Pr2 Se -","- O2 Pr2 Se -","- O2 Pr2 Se -","1","0.0833333","","Weber, F.A.; Schleid, T.","Vier Oxidselenide des Praseodyms: Pr10 O Se14, Pr2 O Se2, Pr2 O2 Se und Pr4 O4 Se3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1383","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532703","5.7366","","5.7366","","22.038","","90","","90","","120","","628.076","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Na3 Fe2 Mo5 O16","","- Fe2 Mo5 Na3 O16 -","- Fe2 Mo5 Na3 O16 -","- Fe4 Mo10 Na6 O32 -","2","0.166667","","Bramnik, K.G.; Muessig, E.; Ehrenberg, H.","Preparation, crystal structure and magnetic studies of Na3 Fe2 Mo5 O16, a new oxide containing Mo3 O13 clusters","Journal of Solid State Chemistry","2003","176","","192","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","158662","2020-10-21","18:00:00",""
"1532735","5.568","","5.568","","10.756","","90","","90","","120","","288.788","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Sc0.93 B15.5 (C N)","","- C B15.5 N Sc0.93 -","- C B15.5 N Sc0.93 -","- C2 B31 N2 Sc1.86 -","2","0.166667","","Leithe-Jasper, A.; Tanaka, T.; Mori, T.; Bourgeois, L.; Michiue, Y.","New quaternary carbon and nitrogen stabilized polyborides: RE B15.5 C N (RE : Sc, Y, Ho, Er, Tm, Lu), crystal structure and compound formation","Journal of Solid State Chemistry","2004","177","","431","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532773","2.9194","","2.9194","","4.713","","90","","90","","120","","34.787","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Ti2 O","","- O Ti2 -","- O Ti2 -","- O Ti2 -","1","0.0833333","","Novoselova, T.; Malinov, S.; Sha, W.; Zhecheva, A.","High-temperature synchrotron X-ray diffraction study of phases in a gamma Ti Al alloy","Materials Science and Engineering A","2004","371","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533043","5.7812","","5.7812","","7.0823","","90","","90","","120","","204.994","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ba (Zn0.333 Ta0.667 O3)","","- Ba0.986667 O3 Ta0.646667 Zn0.356667 -","- Ba0.986667 O3 Ta0.646667 Zn0.356667 -","- Ba2.96 O9 Ta1.94 Zn1.07 -","3","0.25","","Reaney, I.M.; Moussa, S.M.; Wise, P.L.; Qazi, I.; Miller, C.A.; Price, T.J.; Noailles, L.D.; Cannell, D.S.; Rosseinsky, M.J.; Iddles, D.M.; Bieringer, M.; Ibberson, R.M.","Ordering and quality factor in 0.95(Ba Zn1/3 Ta2/3 O3) - 0.055(Sr Ga1/2 Ta1/2 O3) production resonators","Journal of the European Ceramic Society","2003","23","","3021","3034","","","","","","","","","","","","","","","","","","","","","","has coordinates","159126","2020-10-21","18:00:00",""
"1533044","5.7811","","5.7811","","7.0822","","90","","90","","120","","204.984","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ba (Zn0.333 Ta0.667 O3)","","- Ba0.982667 O3 Ta0.617333 Zn0.356667 -","- Ba0.982667 O3 Ta0.617333 Zn0.356667 -","- Ba2.948 O9 Ta1.852 Zn1.07 -","3","0.25","","Reaney, I.M.; Qazi, I.; Wise, P.L.; Miller, C.A.; Price, T.J.; Cannell, D.S.; Bieringer, M.; Iddles, D.M.; Moussa, S.M.; Rosseinsky, M.J.; Noailles, L.D.; Ibberson, R.M.","Ordering and quality factor in 0.95(Ba Zn1/3 Ta2/3 O3) - 0.055(Sr Ga1/2 Ta1/2 O3) production resonators","Journal of the European Ceramic Society","2003","23","","3021","3034","","","","","","","","","","","","","","","","","","","","","","has coordinates","159127","2020-10-21","18:00:00",""
"1533045","5.7811","","5.7811","","7.0823","","90","","90","","120","","204.987","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ba (Zn0.333 Ta0.667 O3)","","- Ba0.966667 O3 Ta0.633333 Zn0.363333 -","- Ba0.966667 O3 Ta0.633333 Zn0.363333 -","- Ba2.9 O9 Ta1.9 Zn1.09 -","3","0.25","","Reaney, I.M.; Moussa, S.M.; Wise, P.L.; Qazi, I.; Miller, C.A.; Cannell, D.S.; Noailles, L.D.; Price, T.J.; Bieringer, M.; Iddles, D.M.; Rosseinsky, M.J.; Ibberson, R.M.","Ordering and quality factor in 0.95(Ba Zn1/3 Ta2/3 O3) - 0.055(Sr Ga1/2 Ta1/2 O3) production resonators","Journal of the European Ceramic Society","2003","23","","3021","3034","","","","","","","","","","","","","","","","","","","","","","has coordinates","159128","2020-10-21","18:00:00",""
"1533565","5.815","","5.815","","14.915","","90","","90","","120","","436.771","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","(Ba2 Cl2) (Ba4 Ru3 O12)","","- Ba6 Cl2 O12 Ru3 -","- Ba6 Cl2 O12 Ru3 -","- Ba6 Cl2 O12 Ru3 -","1","0.0833333","","Tancret, N.; Roussel, P.; Abraham, F.","Layered perovskite-related ruthenium oxychlorides: crystal structure of two new compounds Ba5 Ru2 Cl2 O9 and Ba6 Ru3 Cl2 O12","Journal of Solid State Chemistry","2004","177","","806","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","159819","2020-10-21","18:00:00",""
"1533737","5.012","","5.012","","7.637","","90","","90","","120","","166.141","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cd (S O4)","","- Cd O4 S -","- Cd O4 S -","- Cd4 O16 S4 -","4","0.333333","","Spiess, M.; Gruehn, R.","Zum Hochtemperaturverhalten von Cd S O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","455","","16","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534219","5.717","","5.717","","4.667","","90","","90","","120","","132.101","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","K2 Pd F6","","- F6 K2 Pd -","- F6 K2 Pd -","- F6 K2 Pd -","1","0.0833333","","Bartlett, N.; Quail, J.W.","The Preparation of Palladium Difluoride and Complex Fluorides of Palladium in Selenium Tetrafluoride.","Journal of the Chemical Society","1961","1961","","3728","3732","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534286","6.16","","6.16","","4.82","","90","","90","","120","","158.394","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Rb2 Zr F6","","- F6 Rb2 Zr -","- F6 Rb2 Zr -","- F6 Rb2 Zr -","1","0.0833333","","Bode, H.; Teufer, G.","Ueber Strukturen von Hexafluorozirkonaten und Hexafluorohafnaten","Zeitschrift fuer Anorganische und Allgemeine Chemie","1956","283","","18","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534287","6.41","","6.41","","5.01","","90","","90","","120","","178.273","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 Zr F6","","- Cs2 F6 Zr -","- Cs2 F6 Zr -","- Cs2 F6 Zr -","1","0.0833333","","Bode, H.; Teufer, G.","Ueber Strukturen von Hexafluorozirkonaten und Hexafluorohafnaten","Zeitschrift fuer Anorganische und Allgemeine Chemie","1956","283","","18","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534288","6.134","","6.134","","4.815","","90","","90","","120","","156.897","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Rb2 (Hf F6)","","- F6 Hf Rb2 -","- F6 Hf Rb2 -","- F6 Hf Rb2 -","1","0.0833333","","Bode, H.; Teufer, G.","Ueber Strukturen von Hexafluorozirkonaten und Hexafluorohafnaten","Zeitschrift fuer Anorganische und Allgemeine Chemie","1956","283","","18","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534289","6.39","","6.39","","5","","90","","90","","120","","176.808","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 Hf F6","","- Cs2 F6 Hf -","- Cs2 F6 Hf -","- Cs2 F6 Hf -","1","0.0833333","","Bode, H.; Teufer, G.","Ueber Strukturen von Hexafluorozirkonaten und Hexafluorohafnaten","Zeitschrift fuer Anorganische und Allgemeine Chemie","1956","283","","18","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534367","9.2","","9.2","","5.13","","90","","90","","120","","376.031","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Na2 Ti F6","","- F6 Na2 Ti -","- F6 Na2 Ti -","- F18 Na6 Ti3 -","3","0.25","","Cipriani, C.","Ricerche strutturistiche e cristallochimiche sul fluotitanato di sodi","Periodico di Mineralogia","1955","24","","361","375","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534743","3.5432","","3.5432","","5.0388","","90","","90","","120","","54.783","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt S2 -","- Pt S2 -","- Pt S2 -","1","0.0833333","","Groenvold, F.; Kjekshus, A.; Haraldsen, H.","On the sulfides, selenides and tellurides of platinum","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","1879","1893","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534876","7.771","","7.771","","5.988","","90","","90","","120","","313.16","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","(Cu (N H3))2 (Pt (C N)6)","","- C6 H6 Cu2 N8 Pt -","- C6 Cu2 N8 Pt -","- C6 Cu2 N8 Pt -","1","0.0833333","","Siebert, H.; Guenauer, D.","Strukturchemische Untersuchungen von Monammin-Kupfer(I) Komplexen: (Cu N H3)2 Pt (C N)6, (Cu N H3)2 (C N)4 Pt und Cu3 Co (C N)6 (N H3)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1976","420","","265","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534985","5.25","","5.25","","5.442","","90","","90","","120","","129.9","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs (Cu3 O2)","","- Cs Cu3 O2 -","- Cs Cu3 O2 -","- Cs Cu3 O2 -","1","0.0833333","","Sofin, M.; Jansen, M.; Peters, E.M.","Synthesis and crystal structure of Cs Cu3 O2, containing a new type of oxocuprate(I) polyanion","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","2435","2437","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535035","2.9553","","2.9553","","5.088","","90","","90","","120","","38.484","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg (Be2 N2)","","- Be2 Mg N2 -","- Be2 Mg N2 -","- Be2 Mg N2 -","1","0.0833333","","Somer, M.; Yarasik, A.; Schnelle, W.; Aksel'rud, L.G.; Rosner, H.; Leoni, S.; Kniep, R.","AE (Be2 N2): Nitridoberyllates of the heavier alkaline-earth metals","Angew. Chem. Int. ed.","2004","43","","1088","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535097","4.451","","4.451","","10.868","","90","","90","","120","","186.464","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","La2 I2 Ge","","- Ge I2 La2 -","- Ge I2 La2 -","- Ge I2 La2 -","1","0.0833333","","Mattausch, H.J.; Zheng, C.; Ryazanov, M.; Simon, A.","Reduced lanthanum halides with Ge as interstitials: La2 I2 Ge, La2 I2 Ge2, La3 Cl2 Ge3, La3 Br2 Ge3, La3 I3 Ge, La6 I5 Ge3 and La(7+x) I12 Ge","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","302","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535201","7.8175","","7.8175","","6.0168","","90","","90","","120","","318.443","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Hg (B (C N)4)2","","- C8 B2 Hg N8 -","- C8 B2 Hg N8 -","- C8 B2 Hg N8 -","1","0.0833333","","Berkei, M.; Willner, H.; Bernhardt, E.; Mehring, M.; Schuermann, M.","Darstellung, spektroskopische Charakterisierung und Kristallstrukturen von Quecksilber(II)-bis(tetracyanoborat) Hg (B (C N)4)2 und Diquecksilber(I)-bis(tetracyanoborat) Hg2 (B (C N)4)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1734","1740","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535804","4.23","","4.23","","6.47","","90","","90","","120","","100.257","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Bi Te Br","","- Bi Br Te -","- Bi Br Te -","- Bi Br Te -","1","0.0833333","","Doenges, E.","Ueber Tellurohalogenide des dreiwertigen Antimons und Wismuts und ueber Antimon- und Wismut(III)-tellurid und Wismut(III)-selenid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1951","265","","56","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535960","5.84","","5.84","","7.598","","90","","90","","120","","224.417","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Rb In (W O4)2","","- In O8 Rb W2 -","- In O8 Rb W2 -","- In O8 Rb W2 -","1","0.0833333","","Efremov, V.A.; Trunov, V.K.; Velikodnyi, Yu.A.","Structure of alpha-Rb In (W O4)2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1971","12","","731","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535971","3.629","","3.629","","6.492","","90","","90","","120","","74.043","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Ti Br2","","- Br2 Ti -","- Br2 Ti -","- Br2 Ti -","1","0.0833333","","Ehrlich, P.; Gutsche, W.; Seifert, H.J.","Darstellung und Kristallstruktur von Titandibromid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1961","312","","80","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535998","3.91","","3.91","","5.15","","90","","90","","120","","68.185","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","(Ca0.5 Sr0.5) Si2","","- Ca0.5 Si2 Sr0.5 -","- Ca0.5 Si2 Sr0.5 -","- Ca0.5 Si2 Sr0.5 -","1","0.0833333","","Eisenmann, B.; Riekel, C.; Schaefer, H.; Weiss, A.","Zur Kenntnis ternaerer Disilicide der Erdalkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","372","","325","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","163550","2020-10-21","18:00:00",""
"1536588","4.099","","4.099","","6.572","","90","","90","","120","","95.628","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Zn Mn2 As2","","- As2 Mn2 Zn -","- As2 Mn2 Zn -","- As2 Mn2 Zn -","1","0.0833333","","Dvorkin, A.A.; Verin, I.A.; Zakhvalinskii, V.S.; Nateprov, A.N.","Synthesis and structure of ZnMn2As2","Kristallografiya","1991","36","","1388","1390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536611","5.967","","5.967","","7.738","","90","","90","","120","","238.601","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","K2 Rb Tb (V O4)2","","- K2 O8 Rb Tb V2 -","- K2 O8 Rb Tb V2 -","- K2 O8 Rb Tb V2 -","1","0.0833333","","Efremov, V.A.; Mel'nikov, P.P.; Karril'o Eredero, H.D.; Trunov, V.K.","Potassium-rubidium rear-earth ternary vanadates and the study of K2RbTb(VO4)2 and K2RbGd(VO4)2 structures","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","88","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536614","5.971","","5.971","","7.722","","90","","90","","120","","238.427","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","K2 Rb Gd (V O4)2","","- Gd K2 O8 Rb V2 -","- Gd K2 O8 Rb V2 -","- Gd K2 O8 Rb V2 -","1","0.0833333","","Efremov, V.A.; Mel'nikov, P.P.; Karril'o Eredero, H.D.; Trunov, V.K.","Potassium-rubidium rear-earth ternary vanadates and the study of K2RbTb(VO4)2 and K2RbGd(VO4)2 structures","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","88","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536768","5.763","","5.763","","7.187","","90","","90","","120","","206.717","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","K (Mg0.5 Zr0.5) (Mo O4)2","","- K Mg0.5 Mo2 O8 Zr0.5 -","- K Mg0.5 Mo2 O8 Zr0.5 -","- K Mg0.5 Mo2 O8 Zr0.5 -","1","0.0833333","","Klevtsova, R.F.; Bazarova, Zh.G.; Klevtsov, P.V.; Alekseev, V.I.; Arkhincheeva, S.I.; Glinskaya, L.A.; Bazarov, B.G.","Crystal structure study of K (Mg0.5 Zr0.5) (Mo O4)2 ternary molybdate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1995","36","","891","894","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536814","3.85","","3.85","","5.2","","90","","90","","120","","66.751","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ca Si2 -","- Ca Si2 -","- Ca Si2 -","1","0.0833333","","Fahy, S.; Hamann, D.R.","Electronic and structural properties of Ca Si2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","","7587","7592","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537015","4.297","","4.297","","7.013","","90","","90","","120","","112.141","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","La Al2 Ge2","","- Al2 Ge2 La -","- Al2 Ge2 La -","- Al2 Ge2 La -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","The stability range of the (Ca Al2 Si2) -type structure in the case of Ln Al2 Ge2 compounds","Solid State Sciences","2002","4","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537017","4.269","","4.269","","6.832","","90","","90","","120","","107.828","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Nd Al2 Ge2","","- Al2 Ge2 Nd -","- Al2 Ge2 Nd -","- Al2 Ge2 Nd -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","The stability range of the (Ca Al2 Si2) -type structure in the case of Ln Al2 Ge2 compounds","Solid State Sciences","2002","4","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537018","4.253","","4.253","","6.716","","90","","90","","120","","105.204","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Gd Al2 Ge2","","- Al2 Gd1.03 Ge2.06 -","- Al2 Gd1.03 Ge2.06 -","- Al2 Gd1.03 Ge2.06 -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","The stability range of the (Ca Al2 Si2) -type structure in the case of Ln Al2 Ge2 compounds","Solid State Sciences","2002","4","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","164979","2020-10-21","18:00:00",""
"1537020","4.194","","4.194","","6.846","","90","","90","","120","","104.286","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Gd Al Zn Ge2","","- Al Gd Ge2 Zn -","- Al Gd Ge2 Zn -","- Al Gd Ge2 Zn -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","The stability range of the (Ca Al2 Si2) -type structure in the case of Ln Al2 Ge2 compounds","Solid State Sciences","2002","4","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537022","4.238","","4.238","","6.661","","90","","90","","120","","103.608","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Tb Al2 Ge2","","- Al2 Ge2 Tb -","- Al2 Ge2 Tb -","- Al2 Ge2 Tb -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","The stability range of the (Ca Al2 Si2) -type structure in the case of Ln Al2 Ge2 compounds","Solid State Sciences","2002","4","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537026","4.16","","4.16","","6.615","","90","","90","","120","","99.14","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Lu Al2 Ge2","","- Al2 Ge2 Lu -","- Al2 Ge2 Lu -","- Al2 Ge2 Lu -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","The stability range of the (Ca Al2 Si2) -type structure in the case of Ln Al2 Ge2 compounds","Solid State Sciences","2002","4","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537030","4.205","","4.205","","6.699","","90","","90","","120","","102.582","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Y Al2 Ge2","","- Al2 Ge2 Y -","- Al2 Ge2 Y -","- Al2 Ge2 Y -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","The stability range of the (Ca Al2 Si2) -type structure in the case of Ln Al2 Ge2 compounds","Solid State Sciences","2002","4","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537058","9.905","","9.905","","15.295","","90","","90","","120","","1299.54","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Gd3 Pt4 In12","","- Gd3 In12 Pt4 -","- Gd3 In12 Pt4 -","- Gd9 In36 Pt12 -","3","0.25","","Rodewald, U.C.; Zaremba, V.I.; Galadzhun, Ya.V.; Poettgen, R.; Hoffmann, R.D.","Gd3 Pt4 In12 and Tb3 Pt4 In12 - new ternary indides with condensed [Pt In6] trigonal prisms","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2293","2298","","","","","","","","","","","","","","","","","","","","","","has coordinates","165034","2020-10-21","18:00:00",""
"1537132","8.46","","8.46","","10.398","","90","","90","","120","","644.497","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs3 Sb2 I9","","- Cs3 I9 Sb2 -","- Cs3 I9 Sb2 -","- Cs3 I9 Sb2 -","1","0.0833333","","Kun, S.V.; Lazarev, V.B.; Peresh, E.Yu.; Voroshilov, Yu.V.; Kun, A.V.","Phase equilibria in RbBr-Sb(Bi)Br3 systems and crystal structures of compounds of the type A3B2C9 (A(I)-Rb,Cs;B(V)-Sb,Bi; C(VII)-Br,I)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1993","29","","410","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","165150","2020-10-21","18:00:00",""
"1537135","7.939","","7.939","","9.718","","90","","90","","120","","530.443","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Rb3 Sb2 Br9","","- Br9 Rb3 Sb2 -","- Br9 Rb3 Sb2 -","- Br9 Rb3 Sb2 -","1","0.0833333","","Kun, S.V.; Lazarev, V.B.; Voroshilov, Yu.V.; Peresh, E.Yu.; Kun, A.V.","Phase equilibria in RbBr-Sb(Bi)Br3 systems and crystal structures of compounds of the type A3B2C9 (A(I)-Rb,Cs;B(V)-Sb,Bi; C(VII)-Br,I)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1993","29","","410","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","165154","2020-10-21","18:00:00",""
"1537138","7.93","","7.93","","9.716","","90","","90","","120","","529.133","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs3 Sb2 Br9","","- Br9 Cs3 Sb2 -","- Br9 Cs3 Sb2 -","- Br9 Cs3 Sb2 -","1","0.0833333","","Kun, S.V.; Lazarev, V.B.; Voroshilov, Yu.V.; Peresh, E.Yu.; Kun, A.V.","Phase equilibria in Rb Br - Sb (Bi) Br3 systems and crystal structures of compounds of the type A3 B2 C9 (AI-Rb, Cs; BV-Sb, Bi; CVII-Br, I)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1993","29","","410","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","165158","2020-10-21","18:00:00",""
"1537197","4.0259","","4.0259","","5.2209","","90","","90","","120","","73.283","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt Te2 -","- Pt Te2 -","- Pt Te2 -","1","0.0833333","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of Ni Te2, Pd Te2, Pt S2, Pt Se2, and Pt Te2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1965","19","","257","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537200","3.5432","","3.5432","","5.0388","","90","","90","","120","","54.783","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt S2 -","- Pt S2 -","- Pt S2 -","1","0.0833333","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of Ni Te2, Pd Te2, Pt S2, Pt Se2, and Pt Te2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1965","19","","257","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537202","3.7278","","3.7278","","5.0313","","90","","90","","120","","60.55","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt Se2 -","- Pt Se2 -","- Pt Se2 -","1","0.0833333","","Furuseth, S.; Kjekshus, A.; Selte, K.","Redetermined crystal structures of Ni Te2, Pd Te2, Pt S2, Pt Se2, and Pt Te2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1965","19","","257","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537360","3.35","","3.35","","5.86","","90","","90","","120","","56.953","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Ta S2","","- S2 Ta -","- S2 Ta -","- S2 Ta -","1","0.0833333","","Haegg, G.; Schoenberg, N.","X-ray studies of sulfides of titanium, zirconium, niobium, and tantalum","Arkiv foer Kemi","1954","7","","371","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537410","3.1","","3.1","","4.161","","90","","90","","120","","34.63","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Pt O2","","- O2 Pt -","- O2 Pt -","- O2 Pt -","1","0.0833333","","Hoekstra, H.R.; Gallagher, F.X.; Siegel, S.","Reaction of platinum dioxide with some metal oxides","Advances in Chemistry Series","1971","98","","39","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537486","4.209","","4.209","","6.694","","90","","90","","120","","102.701","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg2 Mn As2","","- As2 Mg2 Mn -","- As2 Mg2 Mn -","- As2 Mg2 Mn -","1","0.0833333","","Juza, R.; Kroebel, R.","Ueber eine Hochtemperaturmodifikation des Magnesiumarsenids und eine ternaere Phase Mg2 Mn As2 gleicher Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1964","331","","187","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537491","4.264","","4.264","","6.738","","90","","90","","120","","106.095","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Mg3 As2","","- As2 Mg3 -","- As2 Mg3 -","- As2 Mg3 -","1","0.0833333","","Juza, R.; Kroebel, R.","Ueber eine Hochtemperaturmodifikation des Magnesiumarsenids und eine ternaere Phase Mg2 Mn As2 gleicher Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1964","331","","187","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","165691","2020-10-21","18:00:00",""
"1537492","2.081","","2.081","","9.234","","90","","90","","120","","34.631","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Zr N Cl","","- Cl N Zr -","- Cl N Zr -","- Cl2 N2 Zr2 -","2","0.166667","","Juza, R.; Friedrichsen, H.","Die Kristallstruktur von Zr N Cl-beta und Zr N Br-beta","Zeitschrift fuer Anorganische und Allgemeine Chemie","1964","332","","173","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537493","2.1","","2.1","","9.751","","90","","90","","120","","37.241","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Zr N Br","","- Br N Zr -","- Br N Zr -","- Br2 N2 Zr2 -","2","0.166667","","Juza, R.; Friedrichsen, H.","Die Kristallstruktur von Zr N Cl-beta und Zr N Br-beta","Zeitschrift fuer Anorganische und Allgemeine Chemie","1964","332","","173","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537860","3.548","","3.548","","5.998","","90","","90","","120","","65.389","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Ti Se2","","- Se2 Ti -","- Se2 Ti -","- Se2 Ti -","1","0.0833333","","Ehrlich, P.","Structure and synthesis of titanium selenides and tellurides","Angewandte Chemie (German Edition)","1948","60","","68","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537865","3.412","","3.412","","5.695","","90","","90","","120","","57.417","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Ti S2","","- S2 Ti -","- S2 Ti -","- S2 Ti -","1","0.0833333","","Ehrlich, P.","Ueber Titanselenide und -telluride","Zeitschrift fuer Anorganische und Allgemeine Chemie","1949","260","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538117","5.23","","5.23","","11.59","","90","","90","","120","","274.547","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Pb4 (S O4) (C O3)2 (O H)2","","- C2 H2 O12 Pb4 S -","- C2 O11.9984 Pb4 S -","- C2 O11.9984 Pb4 S -","1","0.0833333","","Giuseppetti, G.; Mazzi, F.; Tadini, C.","The crystal structure of leadhillite: Pb4 (S O4) (C O3)2 (O H)2","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1990","1990","","255","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538148","4.387","","4.387","","5.295","","90","","90","","120","","88.253","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- In3 Ni2 -","- In3 Ni2 -","- In3 Ni2 -","1","0.0833333","","Hellner, E.","Das System Nickel-Indium","Zeitschrift fuer Metallkunde","1950","41","","401","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538192","4.96","","4.96","","3.65","","90","","90","","120","","77.765","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Hg2 La -","- Hg2 La -","- Hg2 La -","1","0.0833333","","Iandelli, A.; Palenzona, A.","On the occurrence of the MX2 phases of the rare earths with the IB, IIB and IIIB group elements and their crystal structures","Journal of the Less-Common Metals","1968","15","","273","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538289","3.355","","3.355","","6.134","","90","","90","","120","","59.794","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","V Se2","","- Se2 V -","- Se2 V -","- Se2 V -","1","0.0833333","","Hoschek, E.","Vanadinselenide","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","242","","49","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538651","13.422","","13.422","","7.165","","90","","90","","120","","1117.84","","","","","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","Fe3 Mn13 (Si12 O30 (O H)17) Cl3","","- Cl3 Fe3 H17 Mn13 O47 Si12 -","- Cl3 Fe3.04 Mn12.96 O47 Si12 -","- Cl3 Fe3.04 Mn12.96 O47 Si12 -","1","0.0833333","","Kato, T.; Takeuchi, Y.","The pyrosmalite group of minerals I: Structure refinemet of manganopyrosmalite","Canadian Mineralogist","1983","21","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538719","3.93","","3.93","","5.442","","90","","90","","120","","72.79","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Rh Te2 -","- Rh Te2 -","- Rh Te2 -","1","0.0833333","","Kjekshus, A.; Rakke, T.; Andresen, A.F.","Pyrite-like phases in the Rh-Te system","Acta Chemica Scandinavica, Series A: (28,1974-)","1978","32","","209","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539133","3.446","","3.446","","9.669","","90","","90","","120","","99.436","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Zr0.667 Cl2","","- Cl2 Zr0.667 -","- Cl2 Zr0.667 -","- Cl2 Zr0.667 -","1","0.0833333","","Swaroop, B.; Flengas, S.N.","Crystal structure of zirconium trichloride","Canadian Journal of Physics","1964","42","","1886","1889","","","","","","","","","","","","","","","","","","","","","","has coordinates","167915","2020-10-21","18:00:00",""
"1539157","3.696","","3.696","","5.84","","90","","90","","120","","69.089","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","U2 N3","","- N3 U2 -","- N3 U2 -","- N3 U2 -","1","0.0833333","","Sasa, Y.; Atoda, T.","Nonstoichiometric hexagonal close-packed uranium sesquinitride","Journal of the American Ceramic Society","1970","53","","102","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","167982","2020-10-21","18:00:00",""
"1539160","3.84","","3.84","","5.957","","90","","90","","120","","76.071","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Pu2 O3","","- O3 Pu2 -","- O3 Pu2 -","- O3 Pu2 -","1","0.0833333","","Templeton, D.H.","Plutonium oxide","U.S. Atomic Energy Commission Report","1952","1952","","3443","3443","","","","","","","","","","","","","","","","","","","","","","has coordinates","167987","2020-10-21","18:00:00",""
"1539163","3.869","","3.869","","5.308","","90","","90","","120","","68.811","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ni Te2 -","- Ni Te2 -","- Ni Te2 -","1","0.0833333","","Tengner, S.","Ueber Diselenide und Ditelluride von Eisen, Kobalt und Nickel","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","126","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539191","4.028","","4.028","","5.118","","90","","90","","120","","71.913","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pd Te2 -","- Pd Te2 -","- Pd Te2 -","1","0.0833333","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539198","3.731","","3.731","","5.072","","90","","90","","120","","61.145","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt Se2 -","- Pt Se2 -","- Pt Se2 -","1","0.0833333","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539201","4.018","","4.018","","5.212","","90","","90","","120","","72.871","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt Te2 -","- Pt Te2 -","- Pt Te2 -","1","0.0833333","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539339","6.1927","","6.1927","","5.3376","","90","","90","","120","","177.271","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","K2 Li4 (U O6)","","- K2 Li4 O6 U -","- K2 Li4 O6 U -","- K2 Li4 O6 U -","1","0.0833333","","Wolf, R.; Hoppe, R.","Ein neues Oxouranat (VI): K2 Li4 (U O6). Mit einer Bemerkung ueber Rb2 Li4 (U O6) und Cs2 Li4 (U O6)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","554","","34","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539358","5.873","","5.873","","14.626","","90","","90","","120","","436.894","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba2 In Ir O6 -","- Ba2 In Ir O6 -","- Ba6 In3 Ir3 O18 -","3","0.25","","Thumm, I.; Treiber, U.; Kemmler-Sack, S.","Zur Struktur von Ba3 Sm Ru2 O9, Ba3 Sm Ir Ru O9 und Ba2 In Ir O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","477","","161","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539534","4.573","","4.573","","7.229","","90","","90","","120","","130.922","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg3 Sb2 -","1","0.0833333","","Zintl, E.; Husemann, E.","Bindungsart und Gitterbau binaerer Magnesiumverbindungen. 12. Mitteilung ueber Metalle und Legierungen","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","21","","138","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539537","4.582","","4.582","","7.244","","90","","90","","120","","131.71","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg3 Sb2 -","1","0.0833333","","Zintl, E.; Husemann, E.","Bindungsart und Gitterbau binaerer Magnesiumverbindungen. 12. Mitteilung ueber Metalle und Legierungen","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","21","","138","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539555","3.798","","3.798","","6.192","","90","","90","","120","","77.352","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Zr Se2","","- Se2 Zr -","- Se2 Zr -","- Se2 Zr -","1","0.0833333","","van Arkel, A.O.","Crystal structure and physical properties","Physica (The Hague) (1,1934-17,1951)","1924","4","","286","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539557","3.8256","","3.8256","","21.144","","90","","90","","120","","267.989","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Ga1.74 In2.92 S7 -","- Ga1.74 In2.92 S7 -","- Ga1.74 In2.92 S7 -","1","0.0833333","","Amiraslanov, I.R.; Asadov, F.Yu.; Musaev, A.A.; Guseinov, G.G.","Crystal structure of the new layered semiconductor Ga1.74 In2.92 S7","Soviet Physics, Crystallography (= Kristallografiya)","1989","34","","611","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539647","6.2879","","6.2879","","15.309","","90","","90","","120","","524.19","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Cs2 Na (Ti F6)","","- Cs2 F6 Na Ti -","- Cs2 F6 Na Ti -","- Cs6 F18 Na3 Ti3 -","3","0.25","","Becker, S.; Hoppe, R.","Neues ueber Cs2 Na (Ti F6) Ein weiterer Vertreter der 6-Layer-Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","579","","16","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539677","3.765","","3.765","","6.526","","90","","90","","120","","80.114","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Ti Te2","","- Te2 Ti -","- Te2 Ti -","- Te2 Ti -","1","0.0833333","","Ehrlich, P.","Ueber Titanselenide und -telluride","Zeitschrift fuer Anorganische und Allgemeine Chemie","1949","260","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539811","3.85","","3.85","","24.68","","90","","90","","120","","316.809","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","In2 (Zn S4)","","- In2 S4 Zn -","- In2 S4 Zn -","- In4 S8 Zn2 -","2","0.166667","","Donika, F.G.; Semiletov, S.A.; Radautsan, S.I.; Mustya, I.G.; Donika, T.V.; Kiosse, G.A.","Crystal structure of the double-pack polytype Zn In2 S4 (II)a, and more careful determination of the structure of the triple-pack polytype Zn In2 S4 (III)a","Soviet Physics, Crystallography (= Kristallografiya)","1971","16","","190","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539851","4.244","","4.244","","6.859","","90","","90","","120","","106.99","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Cd I2 -","- Cd I2 -","- Cd I2 -","1","0.0833333","","de Haan, Y.M.","Structure refinements, thermal motion and Madelung constants of cadmium iodide- and cadmium hydroxide-type layer structures","National Bureau of Standards (U.S.), Special Publication","1969","1969","","233","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539935","7.89","","7.89","","6.61","","90","","90","","120","","356.358","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Al Br3 (H2 S)","","- Al Br3 H2 S -","- Al Br3 S -","- Al2 Br6 S2 -","2","0.166667","","Weiss, A.; Plass, R.","Ueber die Kristallstruktur und Saeureeigenschaften von Al Br3 (S H2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1956","283","","390","400","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540985","9.617","","9.617","","9.821","","90","","90","","120","","786.621","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co6 Ho7 Sn23 -","- Co6 Ho7 Sn23 -","- Co6 Ho7 Sn23 -","1","0.0833333","","Skolozdra, R.V.; Koretskaya, O.E.; Aksel'rud, L.G.","Crystal structure of Ho7 Co6 Sn23","Soviet Physics, Crystallography (= Kristallografiya)","1985","30","","584","585","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541044","3.537","","3.537","","5.019","","90","","90","","120","","54.377","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt S2 -","- Pt S2 -","- Pt S2 -","1","0.0833333","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542176","5.23","","5.23","","7.04","","90","","90","","120","","166.766","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ca Na (P O4)","","- Ca Na O4 P -","- Ca Na O4 P -","- Ca2 Na2 O8 P2 -","2","0.166667","","Bredig, M.A.","Isomorphism and allotropy in compounds of the type A2 X O4","Journal of Physical Chemistry","1942","46","","747","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1545024","5.617","0.001","5.617","0.001","7.26","0.001","90","","90","","120","","198.37","0.06","","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba Na O4 P -","- Ba Na O4 P -","- Ba2 Na2 O8 P2 -","2","0.166667","","Launay, S.; Mahe, P.; Quarton, M.","Polymorphisme et structure cristalline du monophosphate de sodium et barium","Materials Research Bulletin","1992","27","","1347","1353","10.1016/0025-5408(92)90100-E","","x-ray","0.7107","MoKα","","","0.057","","","0.038","","","","","","","","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1545077","5.6581","0.0001","5.6581","0.0001","6.941","0.002","90","","90","","120","","192.44","0.06","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","SrMg0.4Ta0.6O2.9","","","- Mg0.4 O2.9 Sr Ta0.6 -","- Mg0.4 O2.901 Sr Ta0.6 -","- Mg1.2 O8.703 Sr3 Ta1.8 -","3","0.25","","Kato, S.; Ohmori, E.; Suzuki, Y.; Ohshima, Y.; Sugai, M.; Takazawa, H.; Endo, T.","Cation ordering in the oxygen deficient perovskite Sr2-xLaxMg1-yTa1+yOz","Journal of the Ceramic Society of Japan","1999","107","","209","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","190715","2020-10-21","18:00:00",""
"1545078","5.654","0.002","5.654","0.002","6.926","0.004","90","","90","","120","","191.75","0.15","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","Sr0.95La0.05Mg0.4Ta0.6O2.925","","","- La0.05 Mg0.4 O2.925 Sr0.95 Ta0.6 -","- La0.05 Mg0.403333 O2.925 Sr0.95 Ta0.596667 -","- La0.15 Mg1.21 O8.775 Sr2.85 Ta1.79 -","3","0.25","","Kato, S.; Ohmori, E.; Suzuki, Y.; Ohshima, Y.; Sugai, M.; Takazawa, H.; Endo, T.","Cation ordering in the oxygen deficient perovskite Sr2-xLaxMg1-yTa1+yOz","Journal of the Ceramic Society of Japan","1999","107","","209","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","190716","2020-10-21","18:00:00",""
"1546430","5.9388","0.0002","5.9388","0.0002","7.7322","0.0003","90","","90","","120","","236.173","0.015","","","293","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- O7 Tl4 V2 -","- O7 Tl4 V2 -","- O7 Tl4 V2 -","1","0.0833333","","Jouanneaux, A.; Joubert, O.; Evain, M.; Ganne, M.","Structure determination of Tl4V2O7 from powder diffraction data using an Inel X-ray PSD: stereochemical activity of thallium(I) lone pair","Powder Diffraction","1992","7","","206","211","","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","0.041","","","","","","","","has coordinates","198238","2020-10-21","18:00:00",""
"1548805","3.811","0.002","3.811","0.002","6.137","0.003","90","","90","","120","","77.19","0.07","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Tin selenide","","- Se2 Sn -","- Se2 Sn -","- Se2 Sn -","1","0.0833333","","Busch, G.; Fröhlich, C.; Hulliger, F.; Steigmeir, E.","Struktur, elektrische und thermoelektrische Eigenschaften von SnSe2","Helvetica Physica Acta","1961","34","4","359","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","256730","2020-10-21","18:00:00",""
"1548806","3.807","0.001","3.807","0.001","6.128","0.001","90","","90","","120","","76.92","0.03","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Tin Selenide","","- Se2 Sn -","- Se2 Sn -","- Se2 Sn -","1","0.0833333","","Al-Alamy, F. A. S.; Balchin, A. A.; White, M.","The expansivities and the thermal degradation of some layer compounds","Journal of Materials Science","1977","12","10","2037","2042","10.1007/bf00561976","","","","","","","","","","","","","","","","","","","","","has coordinates","256729","2020-10-21","18:00:00",""
"1548807","3.811","0.005","3.811","0.005","6.136","0.005","90","","90","","120","","77.18","0.16","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Tin selenide","","- Se2 Sn -","- Se2 Sn -","- Se2 Sn -","1","0.0833333","","Liu, Huifang; Chang, Luke L.Y.","Phase relations in systems of tin chalcogenides","Journal of Alloys and Compounds","1992","185","1","183","190","10.1016/0925-8388(92)90566-r","","","","","","","","","","","","","","","","","","","","","has coordinates","256728","2020-10-21","18:00:00",""
"1548809","3.25","","3.25","","4.48","","90","","90","","120","","40.98","","300","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Manganese hydroxide","Pyrochroite","- H2 Mn O2 -","- H2 Mn O2 -","- H2 Mn O2 -","1","0.0833333","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","205789","2020-10-21","18:00:00",""
"1548810","3.186","0.001","3.186","0.001","4.653","0.001","90","","90","","120","","40.9","0.02","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cobalt hydroxide","","- Co H2 O2 -","- Co H2 O2 -","- Co H2 O2 -","1","0.0833333","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","205790","2020-10-21","18:00:00",""
"1548811","3.1268","0.0001","3.1268","0.0001","4.606","0.0001","90","","90","","120","","38.999","0.002","293","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Nickel dihydroxide - beta","","- H2 Ni O2 -","- H2 Ni O2 -","- H2 Ni O2 -","1","0.0833333","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","205791","2020-10-21","18:00:00",""
"1548816","3.536","0.001","3.536","0.001","6.004","0.001","90","","90","","120","","65.01","0.03","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Titanium selenide","","- Se2 Ti -","- Se2 Ti -","- Se2 Ti -","1","0.0833333","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","205796","2020-10-21","18:00:00",""
"1548859","6.6615","0.0001","6.6615","0.0001","5.8023","0.0002","90","","90","","120","","222.985","0.009","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","centennialite","- Ca Cl2 Cu3 H7.58 O6.79 -","- Ca Cl2 Cu3 H6 O7 -","- Ca Cl2 Cu3 H6 O7 -","1","0.0833333","","Crichton, Wilson A.; Müller, Harald","Centennialite, CaCu3(OH)6Cl2.nH2O, n ≈ 0.7, a new kapellasite-like species, and a reassessment of calumetite","Mineralogical Magazine","2017","81","5","1105","","10.1180/minmag.2016.080.157","","","","","","","","","","","","","","","","","","","","","has coordinates","206105","2020-10-21","18:00:00",""
"1550780","4.58315","0.00008","4.58315","0.00008","7.2728","0.00008","90","","90","","120","","132.3","0.004","","","295","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Bi0.49 Mg3 Sb1.5 Te0.01 -","- Bi0.49 Mg3 Sb1.5 Te0.01 -","- Bi0.49 Mg3 Sb1.5 Te0.01 -","1","0.0833333","","Kanno, Tsutomu; Tamaki, Hiromasa; Sato, Hiroki K.; Kang, Stephen Dongmin; Ohno, Saneyuki; Imasato, Kazuki; Kuo, Jimmy Jiahong; Snyder, G. Jeffrey; Miyazaki, Yuzuru","Enhancement of average thermoelectric figure of merit by increasing the grain-size of Mg3.2Sb1.5Bi0.49Te0.01","Applied Physics Letters","2018","112","3","033903","","10.1063/1.5016488","powder diffraction","x-ray","0.41454","","","","","","","0.07137","","0.02909","","1.132","","","","","","","has coordinates","214341","2020-10-21","18:00:00",""
"1551909","18.5676","0.0012","18.5676","0.0012","6.8056","0.0006","90","","90","","120","","2031.9","0.3","300","2","300","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C10 H11.33 Cu O6.67 -","- C10 H9 Cu O6.66467 -","- C60 H54 Cu6 O39.988 -","6","0.5","","Lauren N. McHugh; Matthew J. McPherson; Laura J. McCormick; Samuel A. Morris; Paul S. Wheatley; Simon J. Teat; David McKay; Daniel M. Dawson; Charlotte E. F. Sansome; Sharon E. Ashbrook; Corinne A. Stone; Martin W. Smith; Russell E. Morris","Hydrolytic stability in hemilabile metal-organic frameworks","Nature Chemistry","2018","10","","1096","1102","10.1038/s41557-018-0104-x","","","0.7749","synchrotron","","0.0478","0.0367","","","0.0973","0.1033","","","","","","1.061","","","","has coordinates","216574","2020-10-21","18:00:00",""
"1557002","3.14291","0.00008","3.14291","0.00008","4.72398","0.00014","90","","90","","120","","40.4113","0.0019","","","20","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 20 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.0002 -","- D1.96002 H0.04008 Mg O2.0002 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 20 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557003","3.14289","0.00008","3.14289","0.00008","4.72413","0.00014","90","","90","","120","","40.412","0.0019","","","30","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 30 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 30 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557004","3.14282","0.00008","3.14282","0.00008","4.7243","0.00014","90","","90","","120","","40.4117","0.0019","","","40","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 40 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 40 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557005","3.14287","0.00008","3.14287","0.00008","4.72506","0.00014","90","","90","","120","","40.4195","0.0019","","","50","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 50 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 50 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557006","3.1431","0.00008","3.1431","0.00008","4.72562","0.00014","90","","90","","120","","40.4302","0.0019","","","60","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 60 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 60 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557007","3.14297","0.00008","3.14297","0.00008","4.7264","0.00015","90","","90","","120","","40.4335","0.0019","","","70","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 70 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 70 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557008","3.14312","0.00008","3.14312","0.00008","4.72688","0.00015","90","","90","","120","","40.4415","0.0019","","","80","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 80 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 80 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557009","3.14311","0.00008","3.14311","0.00008","4.7277","0.00015","90","","90","","120","","40.4482","0.0019","","","90","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 90 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 90 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557010","3.14294","0.00008","3.14294","0.00008","4.72821","0.00015","90","","90","","120","","40.4482","0.0019","","","100","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 100 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 100 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557011","3.14304","0.00008","3.14304","0.00008","4.7298","0.00015","90","","90","","120","","40.4644","0.0019","","","120","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 120 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 120 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557012","3.1433","0.00008","3.1433","0.00008","4.73246","0.00015","90","","90","","120","","40.4939","0.0019","","","150","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 150 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 150 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557013","3.14385","0.00009","3.14385","0.00009","4.73856","0.00017","90","","90","","120","","40.56","0.002","","","200","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 200 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 200 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557014","3.14597","0.0001","3.14597","0.0001","4.75387","0.00019","90","","90","","120","","40.746","0.002","","","295","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 295 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 295 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1561563","5.734","0.0008","5.734","0.0008","7.3859","0.0015","90","","90","","120","","210.3","0.06","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ba K2 Mn O8 V2 -","- Ba K2 Mn O8 V2 -","- Ba K2 Mn O8 V2 -","1","0.0833333","","Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase","Journal of Solid State Chemistry","2016","236","","61","68","10.1016/j.jssc.2015.07.039","","","0.71073","MoKα","","0.0225","0.0224","","","0.0541","0.0542","","","","","","1.124","","","","has coordinates","263978","2021-04-08","08:40:14",""
"1561565","5.5489","0.0008","5.5489","0.0008","7.0741","0.0014","90","","90","","120","","188.63","0.05","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ba Co Na2 O8 V2 -","- Ba Co Na2 O8 V2 -","- Ba Co Na2 O8 V2 -","1","0.0833333","","Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase","Journal of Solid State Chemistry","2016","236","","61","68","10.1016/j.jssc.2015.07.039","","","0.71073","MoKα","","0.0265","0.0265","","","0.0631","0.0631","","","","","","1.125","","","","has coordinates","263978","2021-04-08","08:40:15",""
"1561566","5.5731","0.0008","5.5731","0.0008","7.1034","0.0014","90","","90","","120","","191.07","0.05","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ba Fe Na2 O8 V2 -","- Ba Fe Na2 O8 V2 -","- Ba Fe Na2 O8 V2 -","1","0.0833333","","Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase","Journal of Solid State Chemistry","2016","236","","61","68","10.1016/j.jssc.2015.07.039","","","0.71073","MoKα","","0.0322","0.0322","","","0.0766","0.0766","","","","","","1.194","","","","has coordinates","263978","2021-04-08","08:40:15",""
"1561567","5.5921","0.0008","5.5921","0.0008","7.1628","0.0014","90","","90","","120","","193.98","0.05","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ba Mn Na2 O8 V2 -","- Ba Mn Na2 O8 V2 -","- Ba Mn Na2 O8 V2 -","1","0.0833333","","Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase","Journal of Solid State Chemistry","2016","236","","61","68","10.1016/j.jssc.2015.07.039","","","0.71073","MoKα","","0.0258","0.0258","","","0.0766","0.0766","","","","","","1.184","","","","has coordinates","263978","2021-04-08","08:40:15",""
"1561896","3.195741","0.000038","3.195741","0.000038","5.50343","0.00018","90","","90","","120","","48.6751","0.0018","295","","295","","","","","","","","","5","P -3 m 1","-P 3 2""","164","Ni0.70Mg0.30Cl0.58(OH)1.42; Ni0.70Mg0.30Cl0.58(OH)1.42 (ss-type-OH)","","","- Cl0.58 H1.42 Mg0.3 Ni0.7 O1.42 -","- Cl0.58 Mg0.3 Ni0.7 O1.42 -","- Cl0.58 Mg0.3 Ni0.7 O1.42 -","1","0.0833333","","Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela","A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3","Journal of Solid State Chemistry","2015","228","","131","140","10.1016/j.jssc.2015.04.015","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0188","","","","","","","","","has coordinates","264298","2021-04-19","07:35:24",""
"1562239","4.28","0.001","4.28","0.001","20.966","0.003","90","","90","","120","","332.61","0.12","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","germanium tin antimony telluride","germanium tin antimony telluride (3.26/1.1/1.1/6)","","- Ge3.26 Sb1.1 Sn1.1 Te6 -","- Ge3.263 Sb1.096 Sn1.096 Te6 -","- Ge3.263 Sb1.096 Sn1.096 Te6 -","1","0.0833333","","Rosenthal, Tobias; Welzmiller, Simon; Neudert, Lukas; Urban, Philipp; Fitch, Andy; Oeckler, Oliver","Novel superstructure of the rocksalt type and element distribution in germanium tin antimony tellurides","Journal of Solid State Chemistry","2014","219","","108","117","10.1016/j.jssc.2014.07.014","","","0.56085","AgKα","","0.1278","0.0584","","","0.167","0.2168","","","","","","0.919","","","","has coordinates","264683","2021-04-29","07:33:27",""
"1563048","8.619","0.0012","8.619","0.0012","13.857","0.003","90","","90","","120","","891.5","0.3","295","2","295","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu Dy Te2 -","- Cu Dy Te2 -","- Cu8 Dy8 Te16 -","8","0.666667","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0805","0.0589","","","0.2015","0.2166","","","","","","1.252","","","","has coordinates","265653","2021-06-01","09:44:10",""
"1563051","3.886","0.0005","3.886","0.0005","6.385","0.0013","90","","90","","120","","83.5","0.02","295","2","295","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu2 Ho0.67 S2 -","- Cu2 Ho0.67 S2 -","- Cu2 Ho0.67 S2 -","1","0.0833333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0439","0.043","","","0.1028","0.103","","","","","","1.26","","","","has coordinates","265653","2021-06-01","09:44:10",""
"1563052","3.8694","0.0014","3.8694","0.0014","6.3263","0.0019","90","","90","","120","","82.03","0.05","295","2","295","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu2 Lu0.67 S2 -","- Cu2 Lu0.67 S2 -","- Cu2 Lu0.67 S2 -","1","0.0833333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0195","0.0191","","","0.0421","0.0422","","","","","","1.234","","","","has coordinates","265653","2021-06-01","09:44:10",""
"1563053","4.26","0.0006","4.26","0.0006","6.905","0.001","90","","90","","120","","108.52","0.03","295","2","295","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu Lu Te2 -","- Cu Lu Te2 -","- Cu Lu Te2 -","1","0.0833333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0509","0.0472","","","0.1245","0.1279","","","","","","1.245","","","","has coordinates","265653","2021-06-01","09:44:11",""
"1563055","8.6295","0.0017","8.6295","0.0017","13.856","0.003","90","","90","","120","","893.6","0.3","295","2","295","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu Tb Te2 -","- Cu Tb Te2 -","- Cu8 Tb8 Te16 -","8","0.666667","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0899","0.0573","","","0.1523","0.1717","","","","","","1.184","","","","has coordinates","265653","2021-06-01","09:44:11",""
"1563056","4.261","0.0006","4.261","0.0006","6.904","0.001","90","","90","","120","","108.56","0.03","295","2","295","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu0.78 Te2 Tm1.07 -","- Cu0.78 Te2 Tm1.07 -","- Cu0.78 Te2 Tm1.07 -","1","0.0833333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0412","0.0399","","","0.091","0.0917","","","","","","1.216","","","","has coordinates","265653","2021-06-01","09:44:11",""
"1563057","3.866","0.0005","3.866","0.0005","6.272","0.0013","90","","90","","120","","81.18","0.02","295","2","295","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu1.6 S2 Yb0.8 -","- Cu1.6 S2 Yb0.8 -","- Cu1.6 S2 Yb0.8 -","1","0.0833333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0384","0.0384","","","0.0891","0.0891","","","","","","1.263","","","","has coordinates","265653","2021-06-01","09:44:11",""
"1563343","3.9469","0.0003","3.9469","0.0003","6.4636","0.0004","90","","90","","120","","87.2","0.011","295","2","295","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","erbium copper zinc phosphide (1/1/1/2)","erbium copper zinc phosphide (1/1/1/2)","","- Cu Er P2 Zn -","- Cu Er P2 Zn -","- Cu Er P2 Zn -","1","0.0833333","","Blanchard, Peter E.R.; Stoyko, Stanislav S.; Cavell, Ronald G.; Mar, Arthur","Crystal and electronic structures of CaAl2Si2-type rare-earth copper zinc phosphides RECuZnP2 (RE=Pr, Nd, Gd‒Tm, Lu)","Journal of Solid State Chemistry","2011","184","1","97","103","10.1016/j.jssc.2010.11.001","","","0.71073","MoKα","","0.0118","0.0118","","","0.0289","0.0289","","","","","","1.186","","","","has coordinates","266397","2021-06-11","07:33:37",""
"1564793","16.1712","0.0004","16.1712","0.0004","24.9066","0.0007","90","","90","","120","","5640.7","0.3","293","2","293","2","","","","","","","","8","P -3 m 1","-P 3 2""","164","","","","- C12 H12 Cr6 K7.5 Nb3 O106 P2 W15 -","- C12 H12 Cr6 K7.5 Nb3 O106 P2 W15 -","- C24 H24 Cr12 K15 Nb6 O211.999 P4 W30 -","2","0.166667","","Weng, Zhewei; Ogiwara, Naoki; Kitao, Takashi; Kikukawa, Yuji; Gao, Yu; Yan, Likai; Uchida, Sayaka","Incorporating highly basic polyoxometalate anions comprising Nb or Ta into nanoscale reaction fields of porous ionic crystals.","Nanoscale","2021","13","44","18451","18457","10.1039/d1nr04762k","","x-ray","0.71073","MoKα","","0.0647","0.0454","","","0.0883","0.0944","","","","","","1.076","","","","has coordinates,has disorder","271182","2021-12-07","03:23:52",""
"1567265","6.213","0.001","6.213","0.001","5.004","0.001","90","","90","","120","","167.28","0.05","","","295","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Dicaesium hexafluorotitanate","","- Cs2 F6 Ti -","- Cs2 F6 Ti -","- Cs2 F6 Ti -","1","0.0833333","","Popov, D. Yu.; Kavun, V. Ya.; Gerasimenko, A. V.; Sergienko, V. I.; Antokhina, T. F.","Crystal Structures of LiCsTiF6 and Cs2TiF6 and Internal Mobility of Complex Anions","Russian Journal of Coordination Chemistry","2002","28","1","19","24","10.1023/A:1013707619394","","x-ray","","MoKα","","","0.0174","","","","0.0457","","","","","","","","","","has coordinates","276739","2022-07-10","20:07:27",""
"1568614","7.3359","0.0002","7.3359","0.0002","6.8017","0.0002","90","","90","","120","","316.997","0.015","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C2 H12 Ag Cl6 Mo N2 -","- C2 H12.0024 Ag Cl6 Mo N2 -","- C2 H12.0024 Ag Cl6 Mo N2 -","1","0.0833333","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.0369","0.0368","","","0.0964","0.0964","","","","","","1.373","","","","has coordinates","283187","2023-05-05","01:12:31",""
"1570283","7.0714","0.0002","7.0714","0.0002","19.5972","0.0007","90","","90","","120","","848.66","0.05","600","0.4","600","0.4","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl F6 Na21 O28 S7 -","- Cl F6 Na21 O28 S7 -","- Cl F6 Na21 O28 S7 -","1","0.0833333","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V.","Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability","Symmetry","2023","15","10","1871","","10.3390/sym15101871","","x-ray","0.71073","MoKα","","0.0578","0.0485","","","0.1602","0.1697","","","","","","1.018","","","","has coordinates,has disorder","287467","2023-11-07","08:11:40",""
"1570707","5.6914","0.0006","5.6914","0.0006","7.37","0.003","90","","90","","120","","206.75","0.09","573","0.4","573","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- K Na O4 S -","- K Na O4 S -","- K2 Na2 O8 S2 -","2","0.166667","","Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav","Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions","Crystals","2023","14","1","27","","10.3390/cryst14010027","","x-ray","0.71073","MoKα","","0.0718","0.057","","","0.0875","0.088","","","","4.25","4.25","3.73","","","","has coordinates","288916","2024-01-06","15:57:25",""
"1570710","3.6259","0.0014","3.6259","0.0014","6.29","0.002","90","","90","","120","","71.62","0.05","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Se0.72 Te1.28 V1.13 -","- Se0.72 Te1.28 V1.128 -","- Se0.72 Te1.28 V1.128 -","1","0.0833333","","Kurig, Sophia; Ketter, Fabian; Frommelius, Anne; Hakala, B. Viliam; van Leusen, Jan; Friese, Karen; Dronskowski, Richard","Exploring the Structure and Properties of VwSeyTe2−y Mixed Crystals in the VTe2–VSe2 System","Inorganics","2023","11","12","481","","10.3390/inorganics11120481","","","0.71073","MoKα","","0.0222","0.0204","","","0.0482","0.0491","","","","","","1.208","","","","has coordinates","288919","2024-01-06","19:08:11",""
"1570711","3.633","0.007","3.633","0.007","6.365","0.012","90","","90","","120","","72.8","0.2","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Se0.42 Te1.58 V1.1 -","- Se0.42 Te1.58 V1.099 -","- Se0.42 Te1.58 V1.099 -","1","0.0833333","","Kurig, Sophia; Ketter, Fabian; Frommelius, Anne; Hakala, B. Viliam; van Leusen, Jan; Friese, Karen; Dronskowski, Richard","Exploring the Structure and Properties of VwSeyTe2−y Mixed Crystals in the VTe2–VSe2 System","Inorganics","2023","11","12","481","","10.3390/inorganics11120481","","","0.71073","MoKα","","0.0202","0.0192","","","0.0411","0.0416","","","","","","0.987","","","","has coordinates","288920","2024-01-06","19:08:47",""
"2000939","13.672","0.003","13.672","0.003","12.908","0.005","90","","90","","120","","2089.6","1","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","","","","","- H13.5 K5.5 O30 Sb W6 -","- K10 O33 Sb W6 -","- K20 O66 Sb2 W12 -","2","0.166667","AS0506","Naruke, H.; Yamase, T.","Structure of a photoluminescent polyoxotungstoantimonate","Acta Crystallographica Section C","1992","48","4","597","599","10.1107/S0108270191010478","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001496","7.8906","0.0003","7.8906","0.0003","5.6628","0.0004","90","","90","","120","","305.34","0.03","296","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Br2 Co H12 O14 -","- Br2 Co H12 O14 -","- Br2 Co H12 O14 -","1","0.0833333","CR1038","Blackburn, A. C.; Gerkin, R. E.","Structure of hexaaquacobalt(II) perbromate","Acta Crystallographica Section C","1993","49","7","1271","1275","10.1107/S0108270192013465","","","0.71073","MoKᾱ","","","0.036","","","0.033","","","","","1.33","1.33","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002163","5.89","0.001","5.89","0.001","14.906","0.003","90","","90","","120","","447.8","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Barium iridium niobium oxide chloride (6/1/2/12/2)","","- Ba6 Cl2 Ir Nb2 O12 -","- Ba6 Cl2 Ir Nb2 O12 -","- Ba6 Cl2 Ir Nb2 O12 -","1","0.0833333","","Wilkens, J; Mueller-Buschbaum, Hk","Roentgenstrukturanalyse verzwillingter Einkristalle von Ba6IrNb2O12Cl2","Journal of Alloys Compd.","1992","179","","187","193","10.1016/0925-8388(92)90218-X","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002523","5.7991","0.0006","5.7991","0.0006","14.853","0.002","90","","90","","120","","432.6","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Barium ruthenium(IV) ruthenium(V) manganese(IV) oxide chloride (6/0.5/2/0.5/12/2)","","- Ba6 Cl2 Mn0.5 O12 Ru2.5 -","- Ba6 Cl2 Mn0.5 O12 Ru2.5 -","- Ba6 Cl2 Mn0.5 O12 Ru2.5 -","1","0.0833333","","Neubacher, M; Mueller-Buschbaum, Hk","Ein Halogenooxoruthenat (IV, V): Ba6 Ru2.5 Mn0.5 O12 Cl2 mit neuem Strukturtyp","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","602","","143","147","10.1002/zaac.19916020115","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002582","5.805","0.001","5.805","0.001","15.006","0.005","90","","90","","120","","437.9","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Hexabarium platinatodiruthenate(V) dichloride","","- Ba6 Cl2 O12 Pt Ru2 -","- Ba6 Cl2 O12 Pt Ru2 -","- Ba6 Cl2 O12 Pt Ru2 -","1","0.0833333","","Neubacher, M; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba6 Ru2 Pt O12 Cl2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","609","","59","62","10.1002/zaac.19926090311","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002851","2.779","","2.779","","6.806","","90","","90","","120","","45.5","","","","","","","","","","","","","1","P -3 m 1","-P 3 2""","164","","Palladium","Allopalladium","- Pd -","- Pd1.7 -","- Pd1.7 -","1","0.0833333","","Meyer, H.-J.; Müller-Buschbaum, HK.","Eine neue durch oxidspuren stabilisierte form des palladiums","Journal of the Less-Common Metals","1976","76","","293","298","10.1016/0022-5088(80)90032-6","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","210092","2020-10-21","18:00:00",""
"2004955","4.024","0.003","4.024","0.003","5.113","0.004","90","","90","","120","","71.7","0.09","113","2","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pd Te2 -","- Pd Te2 -","- Pd Te2 -","1","0.0833333","BR1127","Pell, M. A.; Mironov, Y. V.; Ibers, J. A.","PdTe~2~","Acta Crystallographica Section C","1996","52","6","1331","1332","10.1107/S0108270195016246","","","0.7107","MoKα","","","0.0262","","","0.0648","","","","","1.325","1.325","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006776","6.05098","0.00005","6.05098","0.00005","7.19498","0.00009","90","","90","","120","","228.145","0.004","295","","295","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","zinc dihydroxide divanadate dihydrate","","- H6 O11 V2 Zn3 -","- H2 O10.9998 V2 Zn3 -","- H2 O10.9998 V2 Zn3 -","1","0.0833333","BR1188","Zavalij, Peter Y.; Zhang, Fan; Whittingham, M. Stanley","A New Zinc Pyrovanadate, Zn~3~(OH)~2~V~2~O~7~.2H~2~O, from X-ray Powder Data","Acta Crystallographica Section C","1997","53","12","1738","1739","10.1107/S0108270197009700","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009101","6.266","0.001","6.266","0.001","8.103","0.002","90","","90","","120","","275.52","0.09","350","1","350","1","","","","","","","","3","P -3 m 1","-P 3 2""","164","Thallium Molybdate","Dithallium molybdate","","- Mo O4 Tl2 -","- Mo O4 Tl2 -","- Mo2 O8 Tl4 -","2","0.166667","BR1242","Friese, K.; Madariaga, G.; Breczewski, T.","Tl~2~MoO~4~ at 350K","Acta Crystallographica Section C","1999","55","11","1753","1755","10.1107/S0108270199008616","","","0.71073","MoKα","","0.046","0.039","","","","0.092","","","","","","1.053","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009794","8.856","0.001","8.856","0.001","7.017","0.002","90","","90","","120","","476.6","0.16","113","1","113","1","","","","","","","","6","P -3 m 1","","","","Litium bis(tetramethylammonium) hexanitrocobaltate(III)","","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","1","0.0833333","MU1078","Adovasio, Victor; Lina, Fausto; Nardelli, Mario; Pelizzi, Giancarlo","Lithium bis(tetramethyllammonium) hexanitrocobaltate(III) at 113 and 293 K","Acta Crystallographica Section C","1994","50","6","871","874","10.1107/S0108270193011588","","","0.71069","MoKαmean","","","0.0292","","","0.0765","","","","","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009795","8.979","0.006","8.979","0.006","7.053","0.005","90","","90","","120","","492.4","0.6","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","Lithium bis(tetramethylammonium) hexanitrocobaltate(III)","","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","1","0.0833333","MU1078","Adovasio, Victor; Lina, Fausto; Nardelli, Mario; Pelizzi, Giancarlo","Lithium bis(tetramethyllammonium) hexanitrocobaltate(III) at 113 and 293 K","Acta Crystallographica Section C","1994","50","6","871","874","10.1107/S0108270193011588","","","0.71069","MoKαmean","","","0.021","","","0.0609","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010514","5.6325","0.0008","5.6325","0.0008","8.045","0.002","90","","90","","120","","221.04","0.07","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Al2 K2 O7 Sb2 -","- Al2 K2 O7 Sb2 -","- Al2 K2 O7 Sb2 -","1","0.0833333","","Hirschle, Christian; Röhr, Caroline","Potassium oxoaluminate antimonate(III), K~2~[Al~2~Sb~2~O~7~]","Acta Crystallographica, Section C","2000","56","","05","06","10.1107/S0108270199012184","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010891","5.7354","0.0011","5.7354","0.0011","4.6635","0.0018","90","","90","","120","","132.85","0.06","298","2","298","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","potassium hexafluoro titanate","dipotassium hexafluorotitanate(IV)","","- F6 K2 Ti -","- F6 K2 Ti -","- F6 K2 Ti -","1","0.0833333","BR1278","Göbel, Ole","Rerefinement of K~2~[TiF~6~]","Acta Crystallographica Section C","2000","56","5","521","522","10.1107/S0108270100002560","","","0.71073","MoKα","","0.04","0.028","","","","0.05","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012800","5.6203","0.0008","5.6203","0.0008","7.9983","0.001","90","","90","","120","","218.8","0.05","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","dipotassium caesium ytterbium bis(phosphate)","","- Cs K2 O8 P2 Yb -","- Cs K2 O8 P2 Yb -","- Cs K2 O8 P2 Yb -","1","0.0833333","DN1010","Rghioui, Lotfi; El Ammari, Lahcen; Benarafa, Larbi; Wignacourt, Jean Pierre","K~2~CsYb(PO~4~)~2~","Acta Crystallographica Section C","2002","58","7","i90","i91","10.1107/S0108270102008107","","","0.71073","MoKα","","0.016","0.016","","0.039","","0.039","","","","","","1.155","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013551","4.1537","0.0007","4.1537","0.0007","6.862","0.002","90","","90","","120","","102.53","0.04","150","2","150","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- I2 Mg -","- I2 Mg -","- I2 Mg -","1","0.0833333","BC1028","Brogan, Michael A.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.","Magnesium diiodide, MgI~2~","Acta Crystallographica Section C","2003","59","12","i136","i138","10.1107/S0108270103025769","","","0.71073","MoKα","","0.0209","0.0208","","","0.0627","0.0628","","","","","","1.13","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2020120","4.701","0.0003","4.701","0.0003","7.5431","0.0011","90","","90","","120","","144.36","0.02","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Lanthanum trilithium dibismuthide","","- Bi2 La Li3 -","- Bi2 La Li3 -","- Bi2 La Li3 -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0131","0.0125","","","0.0259","0.0261","","","","","","1.156","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020121","4.679","0.0006","4.679","0.0006","7.4776","0.0017","90","","90","","120","","141.77","0.04","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cerium trilithium dibismuthide","","- Bi2 Ce Li3 -","- Bi2 Ce Li3 -","- Bi2 Ce Li3 -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0138","0.0126","","","0.026","0.0261","","","","","","1.171","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020122","4.6672","0.0007","4.6672","0.0007","7.435","0.002","90","","90","","120","","140.26","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Praseodymium trilithium dibismuthide","","- Bi2 Li3 Pr -","- Bi2 Li3 Pr -","- Bi2 Li3 Pr -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0155","0.0147","","","0.0268","0.0269","","","","","","1.221","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020123","4.6596","0.0008","4.6596","0.0008","7.422","0.002","90","","90","","120","","139.56","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Neodymium trilithium dibismuthide","","- Bi2 Li3 Nd -","- Bi2 Li3 Nd -","- Bi2 Li3 Nd -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0247","0.0218","","","0.0412","0.0419","","","","","","1.132","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020124","4.6398","0.0005","4.6398","0.0005","7.3624","0.0016","90","","90","","120","","137.26","0.04","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Samarium trilithium dibismuthide","","- Bi2 Li3 Sm -","- Bi2 Li3 Sm -","- Bi2 Li3 Sm -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0162","0.0154","","","0.0336","0.0342","","","","","","1.17","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020125","4.6188","0.0007","4.6188","0.0007","7.328","0.002","90","","90","","120","","135.39","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Gadolinium trilithium dibismuthide","","- Bi2 Gd Li3 -","- Bi2 Gd Li3 -","- Bi2 Gd Li3 -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0266","0.0233","","","0.0467","0.0475","","","","","","1.084","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020126","4.6165","0.0009","4.6165","0.0009","7.3087","0.0014","90","","90","","120","","134.9","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Terbium trilithium dibismuthide","","- Bi2 Li3 Tb -","- Bi2 Li3 Tb -","- Bi2 Li3 Tb -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0185","0.0184","","","0.0393","0.0394","","","","","","1.174","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020747","4.717","0.0007","4.717","0.0007","17.077","0.003","90","","90","","120","","329.06","0.09","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Nonalithium tetraaluminium pentastannide","","- Al4 Li9 Sn5 -","- Al4 Li9 Sn5 -","- Al4 Li9 Sn5 -","1","0.0833333","","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Ehrenberg, Helmut","Li~9~Al~4~Sn~5~ as a new ordered superstructure of the Li~13~Sn~5~ type","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700420X","","","0.71073","MoKα","","0.0243","0.0205","","","0.0644","0.0663","","","","","","1.103","","","","has coordinates,has Fobs","194406","2020-10-21","18:00:00",""
"2100444","7.3876","0.0004","7.3876","0.0004","11.8882","0.0007","90","","90","","120","","561.89","0.05","300","","300","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ag13.034 As1.179 Cu2.966 S11 Sb0.821 -","- Ag13.032 As1.18 Cu2.968 S11 Sb0.82 -","- Ag13.032 As1.18 Cu2.968 S11 Sb0.82 -","1","0.0833333","LC5042","Bindi, Luca; Evain, Michel; Menchetti, Silvio","Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~","Acta Crystallographica, Section B: Structural Science","2006","62","2","212","219","10.1107/s010876810600108x","","","0.71069","MoKα","","0.0638","0.0464","","","0.118","0.1268","","","","","","1.89","","","","has coordinates","208238","2020-10-21","18:00:00",""
"2100445","7.3721","0.0006","7.3721","0.0006","11.8104","0.0012","90","","90","","120","","555.88","0.09","120","","120","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ag13.034 As1.179 Cu2.966 S11 Sb0.821 -","- Ag13.0404 As1.1792 Cu2.9656 S11.0002 Sb0.8208 -","- Ag13.0404 As1.1792 Cu2.9656 S11.0002 Sb0.8208 -","1","0.0833333","LC5042","Bindi, Luca; Evain, Michel; Menchetti, Silvio","Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~","Acta Crystallographica Section B","2006","62","2","212","219","10.1107/S010876810600108X","","","0.71069","MoKα","","0.0546","0.045","","","0.1269","0.1332","","","","","","2.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100446","7.389","0.001","7.389","0.001","11.816","0.002","90","","90","","120","","558.69","0.14","15","","15","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ag12.21 As1.194 Cu3.79 S11 Sb0.806 -","- Ag12.2262 As1.192 Cu3.772 S11.0002 Sb0.808 -","- Ag12.2262 As1.192 Cu3.772 S11.0002 Sb0.808 -","1","0.0833333","LC5042","Bindi, Luca; Evain, Michel; Menchetti, Silvio","Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~","Acta Crystallographica Section B","2006","62","2","212","219","10.1107/S010876810600108X","","","0.71069","MoKα","","0.0554","0.0444","","","0.1187","0.1259","","","","","","1.84","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100628","7.595","0.0004","7.595","0.0004","12.0731","0.0006","90","","90","","120","","603.12","0.05","","","300","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- Ag14.585 As0.337 Cu1.415 S8.341 Sb1.663 Se2.659 -","- Ag14.58 As0.34 Cu1.42 S8.34 Sb1.66 Se2.66 -","- Ag14.58 As0.34 Cu1.42 S8.34 Sb1.66 Se2.66 -","1","0.0833333","LC5047","M. Evain; L. Bindi; S. Menchetti","Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2]","Acta Crystallographica, Section B","2006","62","4","768","774","10.1107/S0108768106022798","","","0.71069","MoKα","","0.0768","0.0489","","","0.0575","0.0596","","","","","","1.8","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2101023","5.906","0.003","5.906","0.001","7.552","0.002","90","","90","","120","","228.13","0.14","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","","","","","- K3 Na O8 Se2 -","- K3 Na O8 Se2 -","- K3 Na O8 Se2 -","1","0.0833333","AL0550","Fábry, J.; Breczewski, T.; Petrícek, V.","Structure determination of the ferroelastic triple-twinned phase of K~3~Na(SeO~4~)~2~ at 291 K and its parent phase at 390 K","Acta Crystallographica Section B","1993","49","5","826","832","10.1107/S0108768193003702","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101033","3.589","0.008","3.589","0.008","4.9111","0.0014","90","","90","","120","","54.8","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","","","","","- Ca H2 O2 -","- Ca H4 O4 -","- Ca H4 O4 -","1","0.0833333","DU0369","Desgranges, L.; Grebille, D.; Calvarin, G.; Chevrier, G.; Floquet, N.; Niepce, J.-C.","Hydrogen thermal motion in calcium hydroxide: Ca(OH)~2~","Acta Crystallographica Section B","1993","49","5","812","817","10.1107/S0108768193003556","","neutron","0.833","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101077","5.857","0.003","5.857","0.003","7.521","0.002","90","","90","","120","","223.44","0.17","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","","","","","- Cr2 K3 Na O8 -","- Cr2 K3 Na O8 -","- Cr2 K3 Na O8 -","1","0.0833333","AL0554","Fábry, J.; Breczewski, T.; Madariaga, G.","Structure determination of the ferroelastic phase of K~3~Na(CrO~4~)~2~ at 200 and 230 K and the redetermination of its parent phase at 290 K","Acta Crystallographica Section B","1994","50","1","13","22","10.1107/S0108768193008079","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101438","3.148","0.001","3.148","0.001","4.779","0.002","90","","90","","120","","41.01","0.03","298","","","","","","","","","","","3","P -3 m 1","-P 3 2""","","","","","- H2 Mg O2 -","- H6 Mg O2 -","- H6 Mg O2 -","1","0.0833333","DU0401","Desgranges, L.; Calvarin, G.; Chevrier, G.","Interlayer interactions in <i>M</i>(OH)~2~: a neutron diffraction study of Mg(OH)~2~","Acta Crystallographica Section B","1996","52","1","82","86","10.1107/S0108768195008275","","neutron","0.833","neutron","","","0.0242","","","0.024","","","","3.22","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101439","3.145","0.001","3.145","0.001","4.74","0.002","90","","90","","120","","40.6","0.03","70","","","","","","","","","","","3","P -3 m 1","-P 3 2""","","","","","- H2 Mg O2 -","- H6 Mg O2 -","- H6 Mg O2 -","1","0.0833333","DU0401","Desgranges, L.; Calvarin, G.; Chevrier, G.","Interlayer interactions in <i>M</i>(OH)~2~: a neutron diffraction study of Mg(OH)~2~","Acta Crystallographica Section B","1996","52","1","82","86","10.1107/S0108768195008275","","neutron","0.833","neutron","","","0.0184","","","0.0182","","","","2.54","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101523","8.856","0.001","8.856","0.001","7.017","0.002","90","","90","","120","","476.6","0.2","113","1","","","","","","","","","","6","P -3 m 1","-P 3 2""","","","","","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","1","0.0833333","CR0508","Bianchi, R.; Gatti, C.; Adovasio, V.; Nardelli, M.","Theoretical and experimental (113 K) electron-density study of lithium bis(tetramethylammonium) hexanitrocobaltate(III)","Acta Crystallographica Section B","1996","52","3","471","478","10.1107/S0108768195016879","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101524","8.856","0.001","8.856","0.001","7.017","0.002","90","","90","","120","","476.6","0.2","113","1","","","","","","","","","","6","P -3 m 1","-P 3 2""","","","","","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","1","0.0833333","CR0508","Bianchi, R.; Gatti, C.; Adovasio, V.; Nardelli, M.","Theoretical and experimental (113 K) electron-density study of lithium bis(tetramethylammonium) hexanitrocobaltate(III)","Acta Crystallographica Section B","1996","52","3","471","478","10.1107/S0108768195016879","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102219","5.846","0.0003","5.846","0.0003","5.9941","0.0003","90","","90","","120","","177.408","0.016","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","?","- Mo2 O8 Zr -","- Mo2 O8 Zr -","","","BM5004","Simon Allen; Rebecca Ward; Matthew Hampson; Richard K B Gover; John S O Evans","Structures and phase transitions of trigonal ZrMo~2~O~8~ and HfMo~2~O~8~","Acta Crystallographica Section B","2004","60","1","32","40","10.1107/S0108768103025138","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102738","6.2733","0.0004","6.2733","0.0004","5.7472","0.0005","90","","90","","120","","195.88","0.02","293","","293","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl2 Cu3 H6 Mg O6 -","- Cl2 Cu3 H6 Mg O6 -","- Cl2 Cu3 H6 Mg O6 -","1","0.0833333","SO5007","Malcherek, Thomas; Schlüter, Jochen","Cu~3~MgCl~2~(OH)~6~ and a redetermination of bond valence parameters for the OH—Cl bond","Acta Crystallographica, Section B","2007","63","1","157","160","10.1107/S0108768106053870","","","0.71073","MoKα","","0.0225","0.02","","","0.0819","0.0848","","","","","","1.14","","","","has coordinates","208238","2020-10-21","18:00:00",""
"2102849","4.28072","0.00012","4.28072","","17.2651","0.0006","90","","90","","120","","273.99","0.01","87","","87","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Bi2 Ge2 Te5 -","- Bi2 Ge2.0002 Te5 -","- Bi2 Ge2.0002 Te5 -","1","0.0833333","SO5005","Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki","Crystal structures of stable and metastable Ge~2~Bi~2~Te~5~, an intermetallic compound in a GeTe-Bi~2~Te~3~ pseudobinary system","Acta Crystallographica, Section B","2007","63","2","346","352","10.1107/S0108768107000778","","","0.42182","synchrotron","","","","","","","","","","0.74","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102850","4.3004","0.00013","4.3004","","17.3659","0.0006","90","","90","","120","","278.13","0.02","293","","87","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Bi2 Ge2 Te5 -","- Bi2 Ge2 Te5 -","- Bi2 Ge2 Te5 -","1","0.0833333","SO5005","Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki","Crystal structures of stable and metastable Ge~2~Bi~2~Te~5~, an intermetallic compound in a GeTe-Bi~2~Te~3~ pseudobinary system","Acta Crystallographica, Section B","2007","63","2","346","352","10.1107/S0108768107000778","","","0.42206","synchrotron","","","","","","","","","","1.73","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104225","6.0056","0.0003","6.0056","0.0003","4.8636","0.0005","90","","90","","120","","151.915","0.019","297","2","297","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","rubidium oxofluorotungstate","rubidium tungsten oxide fluoride","","- F4 O2 Rb2 W -","- F4.02 O1.98 Rb2 W -","- F4.02 O1.98 Rb2 W -","1","0.0833333","BP5013","Udovenko, Anatoly A.; Laptash, Natalia M.","Disorder in crystals of dioxofluorotungstates, (NH~4~)~2~WO~2~F~4~ and Rb~2~WO~2~F~4~","Acta Crystallographica Section B","2008","64","6","645","651","10.1107/S0108768108033053","","","0.71073","MoKα","","0.0218","0.0204","","","0.0462","0.0467","","","","","","1.01","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105050","4.3528","0.0014","4.3528","0.0014","8.003","0.003","90","","90","","120","","131.32","0.08","296","2","296","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Li0.62 Zn0.87 -","- Li0.623333 Zn0.88 -","- Li3.74 Zn5.28 -","6","0.5","BP5039","Pavlyuk, Volodymyr; Chumak, Ihor; Ehrenberg, Helmut","Polymorphism of Li~2~Zn~3~","Acta Crystallographica Section B","2012","68","1","34","39","10.1107/S0108768111053493","","","0.71073","MoKα","","0.0805","0.0575","","","0.1271","0.1419","","","","","","1.266","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105287","20.3757","0.0004","20.3757","0.0004","8.0851","0.0003","90","","90","","120","","2906.97","0.13","173","2","173","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","ammonium oxofluoroniobate","","- F28 H40 N10 Nb6 O6 -","- F9.33333 H13.3333 N3.33333 Nb2 O2 -","- F84 H120 N30 Nb18 O18 -","9","0.75","BP5045","Udovenko, Anatoly A.; Laptash, Natalia M.","Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound","Acta Crystallographica Section B","2012","68","6","602","609","10.1107/S0108768112042577","","","0.71073","MoKα","","0.0886","0.0819","","","0.2241","0.224","","","","","","1.082","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2105288","20.4958","0.0004","20.4958","0.0004","8.1385","0.0002","90","","90","","120","","2960.77","0.11","223","2","223","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","rubidium oxofluorodiniobate","","- Cl F83 Nb18 O18 Rb30 -","- Cl0.111111 F9.22222 Nb2 O2 Rb3.33333 -","- Cl F83 Nb18 O18 Rb30 -","9","0.75","BP5045","Udovenko, Anatoly A.; Laptash, Natalia M.","Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound","Acta Crystallographica Section B","2012","68","6","602","609","10.1107/S0108768112042577","","","0.71073","MoKα","","0.0483","0.0386","","","0.1045","0.104","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105289","20.2744","0.0002","20.2744","0.0002","8.0811","0.0001","90","","90","","120","","2876.72","0.05","243","2","243","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","rubidium oxofluoromolybdate","","- F22 Mo6 O12 Rb10 -","- F9.33333 Mo2 O2 Rb3.33333 -","- F84 Mo18 O18 Rb30 -","9","0.75","BP5045","Udovenko, Anatoly A.; Laptash, Natalia M.","Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound","Acta Crystallographica Section B","2012","68","6","602","609","10.1107/S0108768112042577","","","0.71073","MoKα","","0.0524","0.0424","","","0.1194","0.119","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105290","20.1457","0.0007","20.1457","0.0007","8.0951","0.0005","90","","90","","120","","2845.2","0.2","203","2","203","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","rubidium oxofluorotungstate","","- F22 O12 Rb10 W6 -","- F9.33333 O2 Rb3.33333 W2 -","- F84 O18 Rb30 W18 -","9","0.75","BP5045","Udovenko, Anatoly A.; Laptash, Natalia M.","Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound","Acta Crystallographica Section B","2012","68","6","602","609","10.1107/S0108768112042577","","","0.71073","MoKα","","0.0704","0.0566","","","0.1498","0.15","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2106144","4.882","","4.882","","3.501","","90","","90","","120","","72.263","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Cd2 Y -","- Cd2 Y -","- Cd2 Y -","1","0.0833333","","Elmendorf, R.; Ryba, E.","A note on the structure of Y Cd2","Acta Crystallographica B (24,1968-38,1982)","1968","24","","462","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106284","5.879","","5.879","","4.611","","90","","90","","120","","138.017","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","K2 Re F6","","- F6 K2 Re -","- F6 K2 Re -","- F6 K2 Re -","1","0.0833333","","Clark, G.R.; Russell, D.R.","Potassium hexafluororhenate","Acta Crystallographica B (24,1968-38,1982)","1978","34","","894","895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106376","7.972","","7.972","","9.867","","90","","90","","120","","543.063","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs3 (Bi2 Br9)","","- Bi2 Br9 Cs3 -","- Bi2 Br9 Cs3 -","- Bi2 Br9 Cs3 -","1","0.0833333","","Lazarini, F.","Cesium enneabromodibismuthate(III)","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2961","2964","","","","","","","","","","","","","","","","","","","","","","has coordinates","149434","2020-10-21","18:00:00",""
"2106402","4.049","","4.049","","6.939","","90","","90","","120","","98.52","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- La2 O2 S -","- La2 O2 S -","- La2 O2 S -","1","0.0833333","","Morosin, B.; Newman, D.J.","La2 O2 S structure refinement and crystal field","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2647","2648","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106435","5.776","","5.776","","11.82","","90","","90","","120","","341.509","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ba5 Ta4 O15","","- Ba5 O15 Ta4 -","- Ba5 O15 Ta4 -","- Ba5 O15 Ta4 -","1","0.0833333","","Shannon, J.; Katz, L.","A Refinement of the structure of barium tantalum oxide, Ba5 Ta4 O15","Acta Crystallographica B (24,1968-38,1982)","1970","26","","102","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","149945","2020-10-21","18:00:00",""
"2106665","14.352","","14.352","","4.852","","90","","90","","120","","865.518","","","","","","","","","","","","","7","P -3 m 1","-P 3 2""","164","","Na6 (Si15.96 Al1.98 (Be (O H)0.4 F0.6)2 O39) (H2 O)1.56","","- Al1.98 Be2 F1.2 H3.92 Na6 O41.36 Si15.96 -","- Al1.98 Be2 F1.2 Na6 O41.36 Si15.96 -","- Al1.98 Be2 F1.2 Na6 O41.36 Si15.96 -","1","0.0833333","","Coda, A.; Ungaretti, L.; Guista, A.D.","The crystal structure of leifite, Na6 Si16 Al2 (Be O H)2 O39 (H2 O)1.5","Acta Crystallographica B (24,1968-38,1982)","1974","30","","396","401","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106675","5.761","","5.761","","7.374","","90","","90","","120","","211.948","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Na K3 (P O3 F)2","","- F2 K3 Na O6 P2 -","- F2 K3 Na O6 P2 -","- F2 K3 Na O6 P2 -","1","0.0833333","","Durand, J.; Granier, W.; le Cot, L.; Galigne, J.L.","Etudes structurales de composes oxyfluores du P(V). III. Structure cristalline de Na K3 (P O3 F)2","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1533","1535","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106914","5.78","","5.78","","7.104","","90","","90","","120","","205.537","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ba3 Ta2 Zn O9","","- Ba3 O9 Ta2 Zn -","- Ba3 O9 Ta1.98 Zn0.97 -","- Ba3 O9 Ta1.98 Zn0.97 -","1","0.0833333","","Jacobson, A.J.; Collins, B.M.; Fender, B.E.F.","A powder neutron and x-ray diffraction determination of the structure of Ba3 Ta2 Zn O9: an investigation of Perovskite phases in the system Ba-Ta-Zn-O and the preparation of Ba2 Ta Cd O5.5 and Ba2 Ce In O5.5.","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1083","1087","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106930","3.806","","3.806","","9.044","","90","","90","","120","","113.456","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","(In1.72 As0.26) S3","","- As0.26 In1.72 S3 -","- As0.26 In1.72 S3 -","- As0.26 In1.72 S3 -","1","0.0833333","","Diehl, R.; Carpentier, C.D.; Nitsche, R.","The crystal structure of gamma-In2 S3 stabilized by As or Sb","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1257","1260","","","","","","","","","","","","","","","","","","","","","","has coordinates","164115","2020-10-21","18:00:00",""
"2106931","3.831","","3.831","","9.049","","90","","90","","120","","115.015","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","In1.88 Sb0.112 S3","","- In1.88 S3 Sb0.112 -","- In1.88 S3 Sb0.112 -","- In1.88 S3 Sb0.112 -","1","0.0833333","","Diehl, R.; Carpentier, C.D.; Nitsche, R.","The crystal structure of gamma-In2 S3 stabilized by As Or Sb","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1257","1260","","","","","","","","","","","","","","","","","","","","","","has coordinates","164119","2020-10-21","18:00:00",""
"2106938","8.01","","8.01","","4.83","","90","","90","","120","","268.375","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","S F6","","- F6 S -","- F6 S -","- F18 S3 -","3","0.25","","Raynerd, G.; Venables, J.A.; Tatlock, G.J.","An electron diffraction study of the structure of sulphur hexafluoride below 94 K","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1896","1900","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107137","3.356","","3.356","","6.104","","90","","90","","120","","59.537","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","V1.005 Se2","","- Se2 V1.005 -","- Se2 V1.005 -","- Se2 V1.005 -","1","0.0833333","","Rigoult, J.; Guidi-Morosini, C.; Tomas, A.; Molinie, P.","An Accurate Refinement of 1T-V Se2 at Room Temperature","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1557","1559","","","","","","","","","","","","","","","","","","","","","","has coordinates","167139","2020-10-21","18:00:00",""
"2107203","5.92","","5.92","","4.702","","90","","90","","120","","142.711","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","(N H4)2 (Ti F6)","","- F6 H8 N2 Ti -","- F6 H8 N2 Ti -","- F6 H8 N2 Ti -","1","0.0833333","","Tun, Z.; Brown, I.D.","Hydrogen bonding in diammonium hexafluorotitanate","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1792","1794","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107204","5.491","","5.491","","15.67","","90","","90","","120","","409.169","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt3 Ti -","- Pt3 Ti -","- Pt21 Ti7 -","7","0.583333","","Sinha, A.K.","The crystal structure of Ti (Pt.89 Ni.11)3","Acta Crystallographica B (24,1968-38,1982)","1969","25","","996","997","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107540","3.86564","0.00014","3.86564","0.00014","9.1569","0.0005","90","","90","","120","","118.501","0.009","1099","","1099","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Indium Sulphide","","","- In1.95 S3 -","- In1.946 S3 -","- In1.946 S3 -","1","0.0833333","YB5011","Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian","Structure reinvestigation of α-, β- and γ-In~2~S~3~","Acta Crystallographica Section B","2016","72","3","410","415","10.1107/S2052520616007058","powder diffraction","","0.14276","synchrotron","","","","","","","","","0.027529","3.302","","","","","","","has coordinates,has Fobs","183117","2020-10-21","18:00:00",""
"2108791","6.8748","0.0005","6.8748","0.0005","9.155","0.0012","90","","90","","120","","374.72","0.06","345","0.1","345","0.1","","","","","","","","6","P -3 m 1","-P 3 2""","164","Imidazolium hexa-aqua-aluminium disulphate","","","- C3 H17 Al N2 O14 S2 -","- C3 H16.9998 Al N1.9998 O14 S2 -","- C3 H16.9998 Al N1.9998 O14 S2 -","1","0.0833333","","Zarychta, Bartosz; Czapla, Zbigniew; Przesławski, Janusz; Szklarz, Przemysław","Structure, ferroelasticity and Goldilocks zone phase transitions in C~3~H~5~N~2~Al(SO~4~)~2~·6H~2~O","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621001256","","","0.71073","MoKα","","0.0396","0.0339","","","0.0779","0.0793","","","","","","1.12","","","","has coordinates,has Fobs","263024","2021-03-13","05:56:12",""
"2108792","6.868","0.0004","6.868","0.0004","9.1617","0.001","90","","90","","120","","374.25","0.05","350","0.1","350","0.1","","","","","","","","6","P -3 m 1","-P 3 2""","164","Imidazolium hexa-aqua-aluminium disulphate","","","- C3 H17 Al N2 O14 S2 -","- C3 H16.9998 Al N1.9998 O14 S2 -","- C3 H16.9998 Al N1.9998 O14 S2 -","1","0.0833333","","Zarychta, Bartosz; Czapla, Zbigniew; Przesławski, Janusz; Szklarz, Przemysław","Structure, ferroelasticity and Goldilocks zone phase transitions in C~3~H~5~N~2~Al(SO~4~)~2~·6H~2~O","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621001256","","","0.71073","MoKα","","0.0365","0.03","","","0.0777","0.08","","","","","","1.114","","","","has coordinates,has Fobs","263024","2021-03-13","05:56:12",""
"2201257","5.551","0.001","5.551","0.001","8.037","0.002","90","","90","","120","","214.47","0.08","293","2","295","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","CsAl(MoO~4~)~2~","","","- Al Cs Mo2 O8 -","- Al Cs Mo2 O8 -","- Al Cs Mo2 O8 -","1","0.0833333","","Tomaszewski, Paweł E.; Pietraszko, Adam; Mączka, Mirosław; Hanuza, Jerzy","CsAl(MoO~4~)~2~","Acta Crystallographica, Section E","2002","58","","i119","i120","10.1107/S1600536802020950","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2210402","4.3966","0.0009","4.3966","0.0009","7.171","0.003","90","","90","","120","","120.05","0.06","120","2","120","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","magnesium zinc diantimony","","- Mg1.59 Sb2 Zn1.41 -","- Mg1.594 Sb2 Zn1.406 -","- Mg1.594 Sb2 Zn1.406 -","1","0.0833333","WM2027","Xia, Sheng-Qing; King, Paul; Bobev, Svilen","Mg and Zn disorder in Mg~1.59(1)~Zn~1.41(1)~Sb~2~","Acta Crystallographica Section E","2006","62","9","i184","i186","10.1107/S1600536806029953","","","0.71073","MoKα","","0.0116","0.0113","","","0.0284","0.0287","","","","","","1.287","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216659","5.9718","0.0002","5.9718","0.0002","4.7939","0.0002","90","","90","","120","","148.057","0.009","296","2","296","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","rubidium hexafluoridoiridate(IV)","Rubidium hexafluoridoiridate(IV)","","- F6 Ir Rb2 -","- F6 Ir Rb2 -","- F6 Ir Rb2 -","1","0.0833333","MG2039","Smolentsev, Anton I.; Gubanov, Alexander I.; Naumov, Dmitry Yu.; Danilenko, Andrey M.","Rubidium hexafluoridoiridate(IV)","Acta Crystallographica Section E","2007","63","12","i200","i200","10.1107/S1600536807059995","","","0.71073","MoKα","","0.0092","0.0092","","","0.0243","0.0243","","","","","","1.206","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216660","6.2421","0.0003","6.2421","0.0003","5.0084","0.0005","90","","90","","120","","169","0.02","296","2","296","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","cesium hexafluoroiridate (IV)","Cesium hexafluoridoiridate(IV)","","- Cs2 F6 Ir -","- Cs2 F6 Ir -","- Cs2 F6 Ir -","1","0.0833333","MG2040","Smolentsev, Anton I.; Gubanov, Alexander I.; Naumov, Dmitry Yu.; Danilenko, Andrey M.","Caesium hexafluoridoiridate(IV)","Acta Crystallographica Section E","2007","63","12","i201","i201","10.1107/S160053680706000X","","","0.71073","MoKα","","0.0135","0.0134","","","0.0283","0.0284","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2222393","6.3627","0.0019","6.3627","0.0019","12.18","0.004","90","","90","","120","","427","0.2","150","2","150","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","poly[0.35-[hexaaquacobalt(II)] [tri-μ-hydroxido-μ-sulfato-dicobalt(II)]]","","- Co2.35 H7.2 O9.1 S -","- Co2.35 H7.2 O9.1 S -","- Co4.7 H14.4 O18.2 S2 -","2","0.166667","LH2832","Yotnoi, Bunlawee; Luachan, Sanchai; Prior, Timothy J.; Rujiwatra, Apinpus","Intercalated brucite-type layered cobalt(II) hydroxysulfate","Acta Crystallographica Section E","2009","65","7","i52","","10.1107/S160053680902251X","","","0.71073","MoKα","","0.0666","0.0481","","","0.1242","0.1318","","","","","","0.902","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233314","13.3165","0.0002","13.3165","0.0002","7.0845","0.0002","90","","90","","120","","1087.98","0.04","293","2","293","2","","","","","","","Burguillos del Cerro, Badajos, Spain","5","P -3 m 1","-P 3 2""","164","Pyrosmalite-(Fe)","octairon(II) hexasilicate deca(chloride/hydroxide) 0.45-hydrate","Pyrosmalite-(Fe)","- Cl1.855 Fe8 H8.48 O23.585 Si6 -","- Cl1.857 Fe8 H9.025 O23.584 Si6 -","- Cl3.714 Fe16 H18.05 O47.168 Si12 -","2","0.166667","WM2570","Yang, Hexiong; Downs, Robert T.; Yang, Yongbo W.; Allen, Warren H.","Pyrosmalite-(Fe), Fe~8~Si~6~O~15~(OH,Cl)~10~","Acta Crystallographica, Section E: Structure Reports Online","2012","68","1","i7","i8","10.1107/S1600536811052822","","","0.71073","MoKα","","0.0379","0.0232","","","0.0614","0.0678","","","","","","1.05","","","","has coordinates,has Fobs","205491","2020-10-21","18:00:00",""
"2241752","5.6788","0.0003","5.6788","0.0003","18.3368","0.0014","90","","90","","120","","512.11","0.05","295","2","295","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Trimagnesium beryllium octaaluminium hexadecaoxide","","- Al7.92 Be Cr0.15 Mg2.92 O16 -","- Al7.9235 Be Cr0.1525 Mg2.924 O16 -","- Al15.847 Be2 Cr0.305 Mg5.848 O32 -","2","0.166667","WM5296","Malcherek, Thomas; Schlüter, Jochen","Crystal structure of Cr-bearing Mg~3~BeAl~8~O~16~, a new polytype of magnesiotaaffeite-2<i>N</i>'2<i>S</i>","Acta Crystallographica Section E","2016","72","7","1060","1063","10.1107/S2056989016010215","","","0.71069","MoKα","","0.0186","0.018","","","0.04","0.0404","","","","","","0.834","","","","has coordinates,has Fobs","184035","2020-10-21","18:00:00",""
"2242273","5.6859","0.0003","5.6859","0.0003","5.6099","0.0003","90","","90","","120","","157.067","0.014","293.15","","293.15","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Cerium(IV) bis(phosphite)","","- Ce H2 O6 P2 -","- Ce H2 O6 P2 -","- Ce H2 O6 P2 -","1","0.0833333","WM5407","Byer, Stefano H.; Villa, Eric M.","Synthesis and crystal structure of cerium(IV) bis(phosphite)","Acta Crystallographica Section E","2017","73","9","1290","1293","10.1107/S205698901701115X","","","0.71073","MoKα","","0.0098","0.0098","","","0.0293","0.0293","","","","","","1.258","","","","has coordinates","199560","2020-10-21","18:00:00",""
"2242480","5.834","0.002","5.834","0.002","4.546","0.002","90","","90","","120","","134","0.09","100","2","100","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","K2ReF6","Dipotassium hexafluoridorhenate(IV)","","- F6 K2 Re -","- F6 K2 Re -","- F6 K2 Re -","1","0.0833333","WM5432","Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Smith, Dean; Salamat, Ashkan; Pham, Chien Thang; Poineau, Frederic","Syntheses, Raman spectroscopy and crystal structures of alkali hexafluoridorhenates(IV) revisited","Acta Crystallographica Section E","2018","74","5","646","649","10.1107/S2056989018005297","","","0.71073","MoKα","","0.0158","0.0158","","","0.0408","0.0408","","","","","","1.126","","","","has coordinates,has Fobs","207565","2020-10-21","18:00:00",""
"2242481","5.9926","0.0013","5.9926","0.0013","4.7177","0.001","90","","90","","120","","146.72","0.05","100","2","100","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Rb2ReF6","Dirubidium hexafluoridorhenate(IV)","","- F6 Rb2 Re -","- F6 Rb2 Re -","- F6 Rb2 Re -","1","0.0833333","WM5432","Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Smith, Dean; Salamat, Ashkan; Pham, Chien Thang; Poineau, Frederic","Syntheses, Raman spectroscopy and crystal structures of alkali hexafluoridorhenates(IV) revisited","Acta Crystallographica Section E","2018","74","5","646","649","10.1107/S2056989018005297","","","0.71073","MoKα","","0.0288","0.0273","","","0.0727","0.0738","","","","","","1.3","","","","has coordinates,has Fobs","207565","2020-10-21","18:00:00",""
"2242482","6.268","0.001","6.268","0.001","4.931","0.001","90","","90","","120","","167.77","0.05","100","2","100","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Cs2ReF6","Dicaesium hexafluoridorhenate(IV)","","- Cs2 F6 Re -","- Cs2 F6 Re -","- Cs2 F6 Re -","1","0.0833333","WM5432","Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Smith, Dean; Salamat, Ashkan; Pham, Chien Thang; Poineau, Frederic","Syntheses, Raman spectroscopy and crystal structures of alkali hexafluoridorhenates(IV) revisited","Acta Crystallographica Section E","2018","74","5","646","649","10.1107/S2056989018005297","","","0.71073","MoKα","","0.0132","0.0132","","","0.0358","0.0358","","","","","","1.249","","","","has coordinates,has Fobs","207565","2020-10-21","18:00:00",""
"2300134","5.7523","0.0002","5.7523","0.0002","7.0634","0.0003","90","","90","","120","","202.408","0.013","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 Ni O9 -","- Ba3 Nb2 Ni O9 -","","","HX5056","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300136","5.7657","0.0003","5.7657","0.0003","7.0444","0.0007","90","","90","","120","","202.81","0.03","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 Ni O9 -","- Ba3 Nb2 Ni O9 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300138","5.7532","0.0002","5.7532","0.0002","7.0641","0.0003","90","","90","","120","","202.491","0.013","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 Ni O9 -","- Ba3 Nb2 Ni O9 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300140","5.7675","0.0004","5.7675","0.0004","7.0567","0.0009","90","","90","","120","","203.29","0.03","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 Ni O9 -","- Ba3 Nb2 Ni O9 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300142","5.7893","0.0005","5.7893","0.0005","7.1158","0.0009","90","","90","","120","","206.54","0.04","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 O9 Zn -","- Ba3 Nb2 O9 Zn -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300144","5.7665","0.0003","5.7665","0.0003","7.058","0.0007","90","","90","","120","","203.25","0.03","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 O9 Zn -","- Ba3 Nb2 O9 Zn -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300148","5.74601","0.00009","5.74601","0.00009","7.06047","0.00017","90","","90","","120","","201.882","0.007","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 Ni O9 -","- Ba3 Nb2 Ni O9 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300149","5.762","0.0006","5.762","0.0006","7.0764","0.0009","90","","90","","120","","203.46","0.04","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 Ni O9 -","- Ba3 Nb2 Ni O9 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300150","5.7645","0.0011","5.7645","0.0011","7.092","0.0018","90","","90","","120","","204.09","0.08","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 Ni O9 -","- Ba3 Nb2 Ni O9 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300154","5.7654","0.001","5.7654","0.001","7.091","0.0016","90","","90","","120","","204.13","0.07","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 O9 Zn -","- Ba3 Nb2 O9 Zn -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300155","5.74666","0.00005","5.74666","0.00005","7.05943","0.00008","90","","90","","120","","201.898","0.003","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 O9 Zn -","- Ba3 Nb2 O9 Zn -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300156","5.7462","0.00006","5.7462","0.00006","7.05894","0.00009","90","","90","","120","","201.851","0.004","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","?","- Ba3 Nb2 O9 Zn -","- Ba3 Nb2 O9 Zn -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300160","5.7981","0.0006","5.7981","0.0006","11.7947","0.0012","90","","90","","120","","343.39","0.06","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","?","- Ba5 Nb4 O15 -","- Ba5 Nb4 O15 -","","","","Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R.","A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~","Journal of Applied Crystallography","2007","40","4","749","755","10.1107/S0021889807028051","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300630","3.8108","0.0003","3.8108","","6.141","0.0005","90","","90","","120","","77.233","0.009","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Tin selenide","","- Se2 Sn -","- Se2 Sn -","- Se2 Sn -","1","0.0833333","","Palosz, B.; Salje, E.","Lattice parameters and spontaneous strain in A X2 polytypes: Cd I2, Pb I2, Sn, S2 and SnSe2","Journal of Applied Crystallography","1989","22","","622","623","10.1107/S0021889889006916","","","","","","","","","","","","","","","","","","","","","has coordinates","287953","2023-12-03","18:10:14",""
"2310018","4.08","","4.08","","6.3","","90","","90","","120","","90.822","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Actinium oxide","","- Ac2 O3 -","- Ac2 O3 -","- Ac2 O3 -","1","0.0833333","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. XII. New compounds representing known structure types","Acta Crystallographica (1,1948-23,1967)","1949","2","","388","390","10.1107/S0365110X49001016","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310386","5.79","","5.79","","11.75","","90","","90","","120","","341.134","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ba5 Ta4 O15","","- Ba5 O15 Ta4 -","- Ba5 O15 Ta4 -","- Ba5 O15 Ta4 -","1","0.0833333","","Galasso, F.; Katz, L.","Preparation and structure of Ba5 Ta4 O15 and related compounds","Acta Crystallographica (1,1948-23,1967)","1961","14","","647","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","148946","2020-10-21","18:00:00",""
"2310423","7.476","","7.476","","6.039","","90","","90","","120","","292.304","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 Ce Cl6","","- Ce Cl6 Cs2 -","- Ce Cl6 Cs2 -","- Ce Cl6 Cs2 -","1","0.0833333","","Kaatz, T.; Marcovich, M.","The crystal structure of the compound Cs2 Ce Cl6","Acta Crystallographica (1,1948-23,1967)","1966","21","","1011","1011","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310492","5.51","","5.51","","12.95","","90","","90","","120","","340.489","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Na0.93 Mo6 O17","","- Mo6 Na0.93 O17 -","- Mo6 Na0.93 O16.992 -","- Mo6 Na0.93 O16.992 -","1","0.0833333","","Stephenson, N.C.","The crystal structure of a sodium molybdenum bronze","Acta Crystallographica (1,1948-23,1967)","1966","20","","59","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","149991","2020-10-21","18:00:00",""
"2310668","7.614","","7.614","","6.038","","90","","90","","120","","303.144","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 Th Cl6","","- Cl6 Cs2 Th -","- Cl6 Cs2 Th -","- Cl6 Cs2 Th -","1","0.0833333","","Siegel, S.","The structures of Cs2 Th Cl6 and Cs2 U Cl6","Acta Crystallographica (1,1948-23,1967)","1956","9","","827","827","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310669","7.492","","7.492","","6.038","","90","","90","","120","","293.508","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 U Cl6","","- Cl6 Cs2 U -","- Cl6 Cs2 U -","- Cl6 Cs2 U -","1","0.0833333","","Siegel, S.","The structures of Cs2 Th Cl6 and Cs2 U Cl6","Acta Crystallographica (1,1948-23,1967)","1956","9","","827","827","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310832","4.07","","4.07","","7.124","","90","","90","","120","","102.198","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- La2 O2 Se -","- La2 O2 Se -","- La2 O2 Se -","1","0.0833333","","Eick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310833","3.975","","3.975","","6.985","","90","","90","","120","","95.581","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Nd2 O2 Se -","- Nd2 O2 Se -","- Nd2 O2 Se -","1","0.0833333","","Eick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310834","3.916","","3.916","","6.912","","90","","90","","120","","91.795","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sm2 O2 Se","","- O2 Se Sm2 -","- O2 Se Sm2 -","- O2 Se Sm2 -","1","0.0833333","","Eick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310835","3.873","","3.873","","6.854","","90","","90","","120","","89.037","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Gd2 O2 Se -","- Gd2 O2 Se -","- Gd2 O2 Se -","1","0.0833333","","Eick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310836","3.807","","3.807","","6.766","","90","","90","","120","","84.924","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Ho2 O2 Se -","- Ho2 O2 Se -","- Ho2 O2 Se -","1","0.0833333","","Eick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310837","3.792","","3.792","","6.743","","90","","90","","120","","83.969","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Er2 O2 Se -","- Er2 O2 Se -","- Er2 O2 Se -","1","0.0833333","","Eick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310838","3.761","","3.761","","6.697","","90","","90","","120","","82.038","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Yb2 O2 Se","","- O2 Se Yb2 -","- O2 Se Yb2 -","- O2 Se Yb2 -","1","0.0833333","","Eick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310852","7.45","","7.45","","6.04","","90","","90","","120","","290.322","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 Pu Cl6","","- Cl6 Cs2 Pu -","- Cl6 Cs2 Pu -","- Cl6 Cs2 Pu -","1","0.0833333","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. II. The crystal structure of Cs2 Pu Cl6","Acta Crystallographica (1,1948-23,1967)","1948","1","","268","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310962","5.715","","5.715","","4.656","","90","","90","","120","","131.697","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","K2 Ti F6","","- F6 K2 Ti -","- F6 K2 Ti -","- F6 K2 Ti -","1","0.0833333","","Siegel, S.","The Crystal Structure of K2 Ti F6","Acta Crystallographica (1,1948-23,1967)","1952","5","","683","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310990","3.927","","3.927","","6.789","","90","","90","","120","","97.293","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Pu2 O2 S","","- O2 Pu2 S -","- O2 Pu2 S -","- O2 Pu2 S -","1","0.0833333","","Zachariasen, W. H.","Crystal chemical studies of the 5f-series of elements. VII. The crystal structure of Ce~2~O~2~S, La~2~O~2~S and Pu~2~O~2~S","Acta Crystallographica","1949","2","1","60","62","10.1107/S0365110X49000138","","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","181984","2020-10-21","18:00:00",""
"2311036","4.009","","4.009","","7.031","","90","","90","","120","","97.863","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Pr2 O2 Se","","- O2 Pr2 Se -","- O2 Pr2 Se -","- O2 Pr2 Se -","1","0.0833333","","Zick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2312327","4.25788","","4.25788","","16.9431","","90","","90","","120","","266.018","","0","","0","","0","","0","","","","","4","P -3 m 1","-P 3 2""","164","","","Saddlebackite 9 layer","- Bi4 Pb4 S6 Te4 -","- Bi2 Pb2 S3 Te2 -","- Bi2 Pb2 S3 Te2 -","1","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312328","4.26052","","4.26052","","33.81797","","90","","90","","120","","531.623","","0","","0","","0","","0","","","","","4","P -3 m 1","-P 3 2""","164","","","Saddlebackite 7.11 layer","- Bi4 Pb4 S6 Te4 -","- Bi2 Pb2 S3 Te2 -","- Bi4 Pb4 S6 Te4 -","2","0.166667","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"2312331","4.24282","","4.24282","","27.31123","","90","","90","","120","","425.776","","0","","0","","0","","0","","","","","4","P -3 m 1","-P 3 2""","164","","","Hitachiite","- Bi4 Pb10 S12 Te4 -","- Bi2 Pb5 S6 Te2 -","- Bi2 Pb5 S6 Te2 -","1","0.0833333","","Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy","Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","6","482","494","10.1107/S2052520623008776","","","","","","","","","","","","","","","","","","","","","has coordinates","288125","2023-12-07","11:46:33",""
"4000398","5.77544","0.00005","5.77544","","7.08762","0.0001","90","","90","","120","","204.739","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba3 Mg Nb2 O9 -","- Ba3 Mg Nb2 O9 -","- Ba3 Mg Nb2 O9 -","1","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000400","5.77385","0.00005","5.77385","","7.09376","0.00008","90","","90","","120","","204.803","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba3 Mg O9 Ta2 -","- Ba3 Mg O9 Ta2 -","- Ba3 Mg O9 Ta2 -","1","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000401","5.75496","0.00006","5.75496","","7.06695","0.00009","90","","90","","120","","202.697","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba Nb0.67 Ni0.33 O3 -","- Ba Nb0.666667 Ni0.333333 O3 -","- Ba3 Nb2 Ni O9 -","3","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000402","5.75513","0.00008","5.75513","","7.0748","0.00012","90","","90","","120","","202.934","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba3 Ni O9 Ta2 -","- Ba3 Ni O9 Ta2 -","- Ba3 Ni O9 Ta2 -","1","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000403","5.78207","0.00006","5.78207","","7.09731","0.00011","90","","90","","120","","205.49","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba Nb0.67 O3 Zn0.33 -","- Ba Nb0.667333 O3 Zn0.332667 -","- Ba3 Nb2.002 O9 Zn0.998 -","3","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000770","3.62","0.0013","3.62","0.0013","11.97","0.00012","90","","90","","120","","135.84","0.07","150","2","150","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Co S4 -","- Al2 Co S4 -","- Al2 Co S4 -","1","0.0833333","","Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.","High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)","Chemistry of Materials","2011","23","12","3086","","10.1021/cm200561p","","","0.77535","synchrotron","","0.0288","0.0288","","","0.0545","0.0545","","","","","","1.198","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000772","3.6825","0.0013","3.6825","0.0013","12.192","0.0012","90","","90","","120","","143.18","0.07","150","2","150","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Fe S4 -","- Al2 Fe S4 -","- Al2 Fe S4 -","1","0.0833333","","Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.","High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)","Chemistry of Materials","2011","23","12","3086","","10.1021/cm200561p","","","0.7749","synchrotron","","0.0836","0.0566","","","0.1262","0.1498","","","","","","1.134","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001085","5.84039","0.0001","5.84039","","6.06707","0.00017","90","","90","","120","","179.223","0.006","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Mo O8 W Zr -","- Mo O8 W Zr -","- Mo O8 W Zr -","1","0.0833333","","Deng, Xuebin; Tao, Juzhou; Yang, Xiaojing; Ma, Hui; Richardson, James W.; Zhao, Xinhua","Novel Trigonal ZrWMoO8Structure and Its Transformations","Chemistry of Materials","2008","20","5","1733","","10.1021/cm071605y","powder diffraction","x-ray","1.54187","CuKα","","","","","","","","0.08807","","2.98","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001141","4.236","0.0003","4.236","","23.7609","0.0017","90","","90","","120","","369.24","0.04","90","","90","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Ge Sb4 Te7 -","- Ge Sb4 Te7 -","- Ge Sb4 Te7 -","1","0.0833333","","Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki","Structural Features of Ge1Sb4Te7, an Intermetallic Compound in the GeTe-Sb2Te3Homologous Series","Chemistry of Materials","2008","20","18","5750","","10.1021/cm703484k","powder diffraction","","0.42986","synchrotron","","","","","","","","","0.005","4.86","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001365","5.652","","5.652","","18.828","","90","","90","","120","","520.882","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba2 Co3.667 Ga0.667 O8.667 -","- Ba2 Co3.66667 Ga0.666667 O8.66667 -","- Ba6 Co11 Ga2 O26 -","3","0.25","","Pelloquin, D.; Pérez, O.; Martinet, G.; Hébert, S.; Maignan, A.","The Oxide Ba6Ga2Co11O26: A New Close-Packed Stacking Derived from the Hexagonal Perovskite","Chemistry of Materials","2007","19","10","2658","","10.1021/cm0702823","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001658","3.94","0.0004","3.94","0.0004","6.523","0.0013","90","","90","","120","","87.69","0.02","293","2","293","2","","","","","","","CaS + CuI + NH4I in NH3 at 365 C","3","P -3 m 1","-P 3 2""","164","calcium copper sulfide","","","- Ca Cu2 S2 -","- Ca Cu2 S2 -","- Ca Cu2 S2 -","1","0.0833333","","Purdy, Andrew P.","Ammonothermal Crystal Growth of Sulfide Materials","Chemistry of Materials","1998","10","3","692","","10.1021/cm970674h","","","0.71073","MoKα","","0.0597","0.0463","","0.139","0.1283","","","","1.128","1.153","1.153","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002447","2.8269","","2.8269","","4.4894","","90","","90","","120","","31.07","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Li0.04 Co0.333 Ni0.333 Mn0.333 O2","","- Co0.333 Li0.04 Mn0.333 Ni0.333 O2 -","- Co0.3333 Mn0.33333 Ni0.333 O2 -","- Co0.3333 Mn0.33333 Ni0.333 O2 -","1","0.0833333","","Yin, S.-C.; Rho, Y.-H.; Swainson, I.; Nazar, L.F.","X-ray/neutron diffraction and electrochemical studies of lithium de/re-intercalation in Li(1-x) Co(1/3) Ni(1/3) Mn(1/3) O2 (x = 0 - 1)","Chemistry of Materials (1,1989-)","2006","18","","1901","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","151962","2020-10-21","18:00:00",""
"4002518","5.415","","5.415","","13.476","","90","","90","","120","","342.207","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Pb0.92 P1.07 Mo4.93 O17","","- Mo4.93 O17 P1.07 Pb0.92 -","- Mo4.932 O17 P1.068 Pb0.9168 -","- Mo4.932 O17 P1.068 Pb0.9168 -","1","0.0833333","","Leclaire, A.; Chardon, J.; Provost, J.; Boudin, S.; Raveau, B.","A lead phosphomolybdenum purple bronze: Pb0.9 P Mo5 O17","Chemistry of Materials (1,1989-)","2002","14","","3427","3431","","","","","","","","","","","","","","","","","","","","","","has coordinates","157230","2020-10-21","18:00:00",""
"4003025","8.2432","0.0017","8.2432","0.0017","10.021","0.002","90","","90","","120","","589.7","0.2","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Bi2 Cl3 Cs3 I6 -","- Bi2 Cl3 Cs3 I6 -","- Bi2 Cl3 Cs3 I6 -","1","0.0833333","","McCall, Kyle M.; Stoumpos, Constantinos C.; Kontsevoi, Oleg Y.; Alexander, Grant C. B.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","From 0D Cs3Bi2I9 to 2D Cs3Bi2I6Cl3: Dimensional Expansion Induces a Direct Band Gap but Enhances Electron‒Phonon Coupling","Chemistry of Materials","2019","31","7","2644","","10.1021/acs.chemmater.9b00636","","","0.71073","MoKα","","0.0459","0.0426","","","0.1206","0.1242","","","","","","1.16","","","","has coordinates","220444","2020-10-21","18:00:00",""
"4003543","23.515","0.003","23.515","0.003","11.052","0.002","90","","90","","120","","5292.5","1.4","296","2","296","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C32 H26 Cu2 N2 O10 -","- C32 H26 Cu2 N2 O10 -","- C96 H78 Cu6 N6 O30 -","3","0.25","","Krause, Simon; Reuter, Florian S.; Ehrling, Sebastian; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Brunner, Eike","Impact of Defects and Crystal Size on Negative Gas Adsorption in DUT-49 Analyzed by In Situ 129Xe NMR Spectroscopy","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01059","","","0.88561","synchrotron","","0.112","0.1039","","","0.3214","0.3435","","","","","","1.273","","","","has coordinates","252213","2020-10-21","18:00:00",""
"4003833","5.6326","0.0011","5.6326","0.0011","8.0606","0.0018","90","","90","","120","","221.47","0.08","298","","298","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- O8 P2 Rb3 Yb -","- O7.9998 P2 Rb3 Yb -","- O7.9998 P2 Rb3 Yb -","1","0.0833333","","Guo, Shu; Zhong, Ruidan; Górnicka, Karolina; Klimczuk, Tomasz; Cava, R. J.","Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2","Chemistry of Materials","2020","32","24","10670","10677","10.1021/acs.chemmater.0c03850","","","0.71073","MoKα","","0.0194","0.0182","","","0.0454","0.0458","","","","","","1.173","","","","has coordinates,has disorder","260417","2021-01-04","03:07:28",""
"4003861","4.5636","0.0011","4.5636","0.0011","7.228","0.002","90","","90","","120","","130.37","0.06","298.15","","298.15","","","","101325","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg3 Sb2 -","1","0.0833333","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.0152","0.0152","","","0.0323","0.0323","","","","","","1.182","","","","has coordinates","261429","2021-02-03","22:33:00",""
"4003862","4.4808","0.0003","4.4808","0.0003","7.066","0.003","90","","90","","120","","122.86","0.05","298.15","","298.15","","","","3210000","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg3 Sb2 -","1","0.0833333","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.1687","0.0924","","","0.1759","0.3306","","","","","","1.634","","","","has coordinates","261429","2021-02-03","22:33:01",""
"4003863","4.442","0.0019","4.442","0.0019","7.001","0.006","90","","90","","120","","119.63","0.13","298.15","","298.15","","","","4880000","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg3 Sb2 -","1","0.0833333","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.1006","0.0826","","","0.2198","0.286","","","","","","1.511","","","","has coordinates","261429","2021-02-03","22:33:01",""
"4003899","5.8392","0.0003","5.8392","0.0003","14.5176","0.0008","90","","90","","120","","428.68","0.04","299","2","299","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Co4 K2 O22 V9 -","- Co4 K2 O22 V9 -","- Co4 K2 O22 V9 -","1","0.0833333","","Smart, Megan M.; Smith Pellizzeri, Tiffany M.; Morrison, Gregory; McMillen, Colin D.; zur Loye, Hans-Conrad; Kolis, Joseph W.","Ferrite Materials Containing Kagomé Layers: Chemistry of Ba2Fe11Ge2O22 and K2Co4V9O22 Hexaferrites","Chemistry of Materials","2021","33","7","2258","2266","10.1021/acs.chemmater.0c03852","","","0.71073","MoKα","","0.0215","0.0213","","","0.0601","0.0602","","","","","","1.215","","","","has coordinates","264820","2021-05-04","00:49:29",""
"4003900","5.8532","0.0003","5.8532","0.0003","14.2601","0.0007","90","","90","","120","","423.1","0.04","300","2","300","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba2 Fe11 Ge2 O22 -","- Ba2 Fe11 Ge2 O22 -","- Ba2 Fe11 Ge2 O22 -","1","0.0833333","","Smart, Megan M.; Smith Pellizzeri, Tiffany M.; Morrison, Gregory; McMillen, Colin D.; zur Loye, Hans-Conrad; Kolis, Joseph W.","Ferrite Materials Containing Kagomé Layers: Chemistry of Ba2Fe11Ge2O22 and K2Co4V9O22 Hexaferrites","Chemistry of Materials","2021","33","7","2258","2266","10.1021/acs.chemmater.0c03852","","","0.71073","MoKα","","0.0264","0.0261","","","0.0818","0.0819","","","","","","1.191","","","","has coordinates","264820","2021-05-04","00:49:29",""
"4004083","3.8535","0.0002","3.8535","0.0002","6.6663","0.0006","90","","90","","120","","85.729","0.01","293","2","293","3","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Gd2 O2 S -","- Gd2 O2 S -","- Gd2 O2 S -","1","0.0833333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","33.4298","","","","","","","","has coordinates","281153","2023-02-27","10:55:16",""
"4030144","7.341","0.002","7.341","0.002","10.015","0.003","90","","90","","120","","467.4","0.2","","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Bi3 O21 Pb4 Sb5 -","- Bi3 O21 Pb4 Sb5 -","- Bi3 O21 Pb4 Sb5 -","1","0.0833333","","Champarnaud-Mesjard, Jean-Claude; Manier, Michel; Frit, Bernard; Roult, Georges","Structure cristalline de l'oxyde complexe Bi3Pb4Sb5O21","European Journal of Solid State and Inorganic Chemistry","1988","25","","21","34","","powder diffraction","neutron","","white-beam","","","","","","","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030231","4.101","0.002","4.101","0.002","6.087","0.002","90","","90","","120","","88.66","0.07","","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Bi F O2 Pb -","- Bi F O1.998 Pb -","- Bi F O1.998 Pb -","1","0.0833333","","Champarnaud-Mesjard, J.-C.; Mercurio, D.; Frit, B.; Follet-Houttemane, C.; Boivin, J.-C.; Roult, G.","Single crystal X-ray and powder neutron diffraction study of the A-La2O3 type Bi(1-x)PbxF(2xy)O(1.5-0.5x-xy) solid solution","European Journal of Solid State and Inorganic Chemistry","1989","26","","137","153","","","x-ray","0.71069","MoKα","","","0.039","","","","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030232","4.101","0.002","4.101","0.002","6.087","0.002","90","","90","","120","","88.66","0.07","","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Bi F O2 Pb -","- Bi F1.01 O1.992 Pb -","- Bi F1.01 O1.992 Pb -","1","0.0833333","","Champarnaud-Mesjard, J.-C.; Mercurio, D.; Frit, B.; Follet-Houttemane, C.; Boivin, J.-C.; Roult, G.","Single crystal X-ray and powder neutron diffraction study of the A-La2O3 type Bi(1-x)PbxF(2xy)O(1.5-0.5x-xy) solid solution","European Journal of Solid State and Inorganic Chemistry","1989","26","","137","153","","powder diffraction","neutron","","white","","","","","","","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030277","6.0709","0.0009","6.0709","0.0009","4.8006","0.0011","90","","90","","120","","153.23","0.05","","","293","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- F6 Nb Rb2 -","- F6 Nb Rb2 -","- F6 Nb Rb2 -","1","0.0833333","","Chassaing, J.; de Bournonville, M. B.; Bizot, D.; Quarton, M.","Structural and magnetic studies of Rb2NbF6 and Cs2NbF6","European Journal of Solid State and Inorganic Chemistry","1991","28","","441","451","","","x-ray","1.54178","CuKα","","","","","","","","","0.035","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030278","6.3658","0.0007","6.3658","0.0007","5.0012","0.0007","90","","90","","120","","175.51","0.04","","","293","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cs2 F6 Nb -","- Cs2 F6 Nb -","- Cs2 F6 Nb -","1","0.0833333","","Chassaing, J.; de Bournonville, M. B.; Bizot, D.; Quarton, M.","Structural and magnetic studies of Rb2NbF6 and Cs2NbF6","European Journal of Solid State and Inorganic Chemistry","1991","28","","441","451","","","x-ray","1.54178","CuKα","","","","","","","","","0.036","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030910","3.377","0.0009","3.377","0.0009","5.817","0.001","90","","90","","120","","57.45","0.02","","","298","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- C2 Al2 Mg -","- C2 Al2 Mg -","- C2 Al2 Mg -","1","0.0833333","","Bosselet, F.; Mentzen, B. F.; Viala, J. C.; Etoh, M. A.; Bouix, J.","Synthesis and structure of T~2~-Al~2~MgC~2~","European Journal of Solid State and Inorganic Chemistry","1998","35","1","91","99","10.1016/S0992-4361(98)80017-9","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0373","","","","","","","","has coordinates","182187","2020-10-21","18:00:00",""
"4031557","3.844","","3.844","","6.656","","90","","90","","120","","85.175","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cf2 O2 S -","- Cf2 O2 S -","- Cf2 O2 S -","1","0.0833333","","Baybarz, R.D.; Fahey, J.A.; Haire, R.G.","The preparation, crystal structures and some properties of californium oxysulfate and oxysulfide","Journal of Inorganic and Nuclear Chemistry","1974","36","","2023","2027","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4065323","12.115","","12.115","","10.3377","0.0009","90","","90","","120","","1314.02","0.11","150","2","150","2","","","","","","","","7","P -3 m 1","-P 3 2""","164","","","","- C22 H27 Cl N6 O3 Ru S -","- C22 H27 Cl N6 O3 Ru S -","- C44 H54 Cl2 N12 O6 Ru2 S2 -","2","0.166667","","Marchetti, Fabio; Pettinari, Claudio; Pettinari, Riccardo; Cerquetella, Adele; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Silva, Telma F. S.; Pombeiro, Armando J. L.","Ruthenium(II) Arene Complexes Bearing Tris(pyrazolyl)methanesulfonate Capping Ligands. Electrochemistry, Spectroscopic, and X-ray Structural Characterization","Organometallics","2011","30","22","6180","","10.1021/om200713v","","","0.71069","MoKα","","0.0583","0.0509","","","0.1278","0.1315","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107787","3.55894","0.00009","3.55894","","5.92341","0.00027","90","","90","","120","","64.975","0.003","15","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","CaLi2(DN)2","","","- Ca D2 Li2 N2 -","- Ca D2.04 Li1.94 N2 -","- Ca D2.04 Li1.94 N2 -","1","0.0833333","","Hui Wu","Structure of Ternary Imide Li2Ca(NH)2 and Hydrogen Storage Mechanisms in Amide-Hydride System","Journal of the American Chemical Society","2008","130","","6515","6522","10.1021/ja800300e","powder diffraction","neutron","1.5403","neutron","","","","","","","","0.07992","","","","","1.45","","","","has coordinates","276354","2022-06-28","16:49:12",""
"4107788","3.56787","0.00007","3.56787","","5.94851","0.00023","90","","90","","120","","65.578","0.003","15","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","CaLi2(DN)2","","","- Ca D2 Li2 N2 -","- Ca D2.04 Li1.72 N2 -","- Ca D2.04 Li1.72 N2 -","1","0.0833333","","Hui Wu","Structure of Ternary Imide Li2Ca(NH)2 and Hydrogen Storage Mechanisms in Amide-Hydride System","Journal of the American Chemical Society","2008","130","","6515","6522","10.1021/ja800300e","powder diffraction","neutron","1.5403","neutron","","","","","","","","0.0839","","","","","1.28","","","","has coordinates","276354","2022-06-28","16:49:13",""
"4117304","11.531","0.0003","11.531","0.0003","6.8198","0.0002","90","","90","","120","","785.3","0.04","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C12 H0 O31 U3 -","- C12 O30.9998 U3 -","- C12 O30.9998 U3 -","1","0.0833333","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71069","MoKα","","0.0478","0.045","","","0.0788","0.0792","","","","5.57","5.57","5.46","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4123997","4.3932","","4.3932","","4.699","","90","","90","","120","","78.541","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sr Ga2 D2","","- D2 Ga2 Sr -","- D2 Ga2 Sr -","- D2 Ga2 Sr -","1","0.0833333","","Bjoerling, T.; Haeussermann, U.","Polyanionic hydrides from polar intermetallics Ae E2 (Ae = Ca, Sr, Ba; E = Al, Ga, In)","Journal of the American Chemical Society","2006","128","","817","824","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123998","4.5286","","4.5286","","4.8991","","90","","90","","120","","87.011","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ba Ga2 D2","","- Ba D2 Ga2 -","- Ba D2 Ga2 -","- Ba D2 Ga2 -","1","0.0833333","","Bjoerling, T.; Haeussermann, U.","Polyanionic hydrides from polar intermetallics Ae E2 (Ae = Ca, Sr, Ba; E = Al, Ga, In)","Journal of the American Chemical Society","2006","128","","817","824","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124522","3.605","","3.605","","6.412","","90","","90","","120","","72.166","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Zr2 N2 S","","- N2 S Zr2 -","- N2 S Zr2 -","- N2 S Zr2 -","1","0.0833333","","Stoltz, C.; Ramesha, K.; Sirchio, S.A.; Gonen, Z.S.; Eichhorn, B.W.; Salamanca-Riba, L.; Gopalakrishnan, J.","Topochemical anion metathesis routes to the Zr2 N2 S phases and the Na2 S and A Cl derivatives (A = Na, K, Rb)","Journal of the American Chemical Society","2003","125","","4285","4292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124646","5.95","","5.95","","7.47","","90","","90","","120","","229.026","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ba3 Sr Ta2 O9","","- Ba3 O9 Sr Ta2 -","- Ba3 O9 Sr Ta2 -","- Ba3 O9 Sr Ta2 -","1","0.0833333","","Galasso, F.; Katz, L.; Barrante, J.R.","Alkaline earth-tantalum-oxygen phases including the crystal structure of an ordered perovskite compound, Ba3 Sr Ta2 O9","Journal of the American Chemical Society","1961","83","","2830","2832","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124660","3.8934","","3.8934","","6.717","","90","","90","","120","","88.179","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sm2 O2 S","","- O2 S Sm2 -","- O2 S Sm2 -","- O2 S Sm2 -","1","0.0833333","","Eick, H.","The preparation, lattice parameters and some chemical properties of the rare earth mono-thio oxides","Journal of the American Chemical Society","1958","80","","43","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124661","3.747","","3.747","","6.538","","90","","90","","120","","79.496","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Tm2 O2 S","","- O2 S Tm2 -","- O2 S Tm2 -","- O2 S Tm2 -","1","0.0833333","","Eick, H.","The preparation, lattice parameters and some chemical properties of the rare earth mono-thio oxides","Journal of the American Chemical Society","1958","80","","43","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124662","3.946","","3.946","","6.79","","90","","90","","120","","91.562","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Nd2 O2 S -","- Nd2 O2 S -","- Nd2 O2 S -","1","0.0833333","","Eick, H.","The preparation, lattice parameters and some chemical properties of the rare earth mono-thio oxides","Journal of the American Chemical Society","1958","80","","43","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124692","5.82","","5.82","","4.79","","90","","90","","120","","140.512","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Rb2 Ge F6","","- F6 Ge Rb2 -","- F6 Ge Rb2 -","- F6 Ge Rb2 -","1","0.0833333","","Vincent, W.B.; Hoard, J.L.","Structures of Complex Fluorides. Rubidium Hexafluorogermanate","Journal of the American Chemical Society","1942","64","","1233","1234","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4127625","26.742","0.003","26.742","0.003","16.8667","0.0019","90","","90","","120","","10446","2","153","2","153","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C33 H15 Cl Fe3 N3 O19 -","- C33 H15 Cl Fe3 N3 O19 -","- C198 H90 Cl6 Fe18 N18 O114 -","6","0.5","","Song, Xiaohui; Zhang, Mingxing; Chen, Cong; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Pure-Supramolecular-Linker Approach to Highly Connected Metal-Organic Frameworks for CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2019","141","37","14539","14543","10.1021/jacs.9b07422","","","0.71073","MoKα","","0.2083","0.1338","","","0.3681","0.4121","","","","","","1.105","","","","has coordinates,has disorder","220831","2020-10-21","18:00:00",""
"4127626","27.121","0.008","27.121","0.008","17.508","0.006","90","","90","","120","","11153","6","153","2","153","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C35 H15 N3 O20 Sc3 -","- C35 H16 N3 O20 Sc3 -","- C210 H96 N18 O120 Sc18 -","6","0.5","","Song, Xiaohui; Zhang, Mingxing; Chen, Cong; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Pure-Supramolecular-Linker Approach to Highly Connected Metal-Organic Frameworks for CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2019","141","37","14539","14543","10.1021/jacs.9b07422","","","0.71073","MoKα","","0.1909","0.1623","","","0.4097","0.4305","","","","","","1.373","","","","has coordinates","220832","2020-10-21","18:00:00",""
"4131437","7.6953","0.0011","7.6953","0.0011","18.797","0.004","90","","90","","120","","964","0.3","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Cs4 P4 Se20 Sn5 -","- Cs4 P3.96 Se20.06 Sn5 -","- Cs4 P3.96 Se20.06 Sn5 -","1","0.0833333","","Haynes, Alyssa S.; Stoumpos, Constantinos C.; Chen, Haijie; Chica, Daniel; Kanatzidis, Mercouri G.","Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case.","Journal of the American Chemical Society","2017","139","31","10814","10821","10.1021/jacs.7b05423","","","0.71073","MoKα","","0.0473","0.0397","","","0.0837","0.0865","","","","","","1.238","","","","has coordinates","241635","2020-10-21","18:00:00",""
"4133412","16.603","0.0008","16.603","0.0008","12.9455","0.0009","90","","90","","120","","3090.5","0.3","340.3","0.4","340.3","0.4","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C176 H90 Co6 P6 Te8 -","- C176.028 H90 Co6 P6 Te8 -","- C176.028 H90 Co6 P6 Te8 -","1","0.0833333","","O'Brien, Evan S; Russell, Jake C.; Bartnof, Matthew; Christodoulides, Alexander D.; Lee, Kihong; DeGayner, Jordan A.; Paley, Daniel W.; McGaughey, Alan J. H.; Ong, Wee-Liat; Malen, Jonathan A.; Zhu, X.-Y.; Roy, Xavier","Spontaneous Electronic Band Formation and Switchable Behaviors in a Phase-Rich Superatomic Crystal.","Journal of the American Chemical Society","2018","140","46","15601","15605","10.1021/jacs.8b09905","","x-ray","0.71073","MoKα","","0.0728","0.0608","","","0.1801","0.1922","","","","","","1.071","","","","has coordinates,has disorder","243209","2020-10-21","18:00:00",""
"4134956","31.6505","0.0013","31.6505","0.0013","28.6511","0.0015","90","","90","","120","","24856.1","1.9","150","2","150","2","","","","","","","","7","P -3 m 1","-P 3 2""","164","","","","- C468 H396 Cu24 N12 O278 S24 Zr24 -","- C468 H396 Cu24 N12 O278 S24 Zr24 -","- C468 H396 Cu24 N12 O278 S24 Zr24 -","1","0.0833333","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.0971","0.0707","","","0.1967","0.2236","","","","","","1.026","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4135543","21.9714","0.0005","21.9714","0.0005","17.1198","0.0009","90","","90","","120","","7157.2","0.4","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)","","- C132 H66 Eu9 N0 O47 -","- C132 H66 Eu9 O47 -","- C132 H66 Eu9 O47 -","1","0.0833333","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.0877","0.0615","","","0.1697","0.1882","","","","","","1.002","","","","has coordinates,has disorder","261202","2021-01-25","23:51:54",""
"4302556","4.56846","0.00028","4.56846","","5.1673","0.0012","90","","90","","120","","93.4","0.02","300","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Ba Ge In -","- Ba Ge In -","- Ba Ge In -","1","0.0833333","","Michael J. Evans; Verina F. Kranak; Francisco J. Garcia-Garcia; Gregory P. Holland; Luke L. Daemen; Thomas Proffen; Myeong H. Lee; Otto F. Sankey; Ulrich Häussermann","Structural and Dynamic Properties of BaInGeH: A Rare Solid-State Indium Hydride","Inorganic Chemistry","2009","48","","5602","5604","10.1021/ic9005423","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302713","4.2349","","4.2349","","4.5891","","90","","90","","120","","71.276","","","","293","","","","","","","","","3","P -3 m 1","","","","","","- Eu Ge1.5 Zn0.5 -","- Eu0.5 Ge -","- Eu0.5 Ge -","1","0.0833333","","Tae-Soo You; Sven Lidin; Olivier Gourdon; Yaqiao Wu; Gordon J. Miller","To What Extent Does the Zintl-Klemm Formalism Work? The Eu(Zn1-xGex)2 Series","Inorganic Chemistry","2009","48","","6380","6390","10.1021/ic900628k","","","0.71073","MoKα","","0.1211","0.0633","","","0.0582","0.0656","","","","2.81","2.81","2.31","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305860","5.818102","0.00002","5.818102","","14.53262","0.00006","90","","90","","120","","426.027","0.002","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ba6 Na2 Nb2 O17 P2 -","- Ba6 Na2 Nb2 O17 P2 -","- Ba6 Na2 Nb2 O17 P2 -","1","0.0833333","","Xiaojun Kuang; John B. Claridge; Tim Price; David M. Iddles; Matthew J. Rosseinsky","Isolation of Two-Dimensional 2:1 Cation-Ordered Perovskite Units by Anion Vacancy Ordering in Ba6Na2Nb2P2O17","Inorganic Chemistry","2008","47","","8444","8450","10.1021/ic800788e","powder diffraction","","","","","","","","","","","","","1.14","","","","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305861","5.870767","0.000017","5.870767","","14.79803","0.00006","90","","90","","120","","441.697","0.002","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ba6 Na2 Nb2 O17 V2 -","- Ba6 Na2 Nb2 O17 V2 -","- Ba6 Na2 Nb2 O17 V2 -","1","0.0833333","","Xiaojun Kuang; John B. Claridge; Tim Price; David M. Iddles; Matthew J. Rosseinsky","Isolation of Two-Dimensional 2:1 Cation-Ordered Perovskite Units by Anion Vacancy Ordering in Ba6Na2Nb2P2O17","Inorganic Chemistry","2008","47","","8444","8450","10.1021/ic800788e","powder diffraction","","","","","","","","","","","","","1.54","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307920","4.166777","0.000007","4.166777","0.000007","9.8172579","0.0000012","90","","90","","120","","147.612","0.0004","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","?","- Br2 Gd2 Ge0.99994 -","- Br2 Gd2 Ge0.99994 -","","","","Mar'yana Lukachuk; Reinhard K. Kremer; Hansjürgen Mattausch; Arndt Simon","New Layered Germanide Halides RE2GeX2 (RE = Y, Gd; X = Br, I)","Inorganic Chemistry","2007","46","","3231","3235","10.1021/ic062425d","powder diffraction","","","X-ray","","","","","","","","","7.2936","","","","","","","","has coordinates","179117","2020-10-21","18:00:00",""
"4308070","21.6195","0.0013","21.6195","0.0013","9.6282","0.0008","90","","90","","120","","3897.3","0.5","173","2","173","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C22 H20 N2 O8 Zn2 -","- C22 H8 N2 O8 Zn2 -","- C66 H24 N6 O24 Zn6 -","3","0.25","","Hyungphil Chun; Jumi Moon","Discovery, Synthesis, and Characterization of an Isomeric Coordination Polymer with Pillared Kagome Net Topology","Inorganic Chemistry","2007","46","","4371","4373","10.1021/ic070036t","","","0.71073","MoKα","","0.07","0.052","","","0.179","0.197","","","","","","1.159","","","","has coordinates,has disorder","179118","2020-10-21","18:00:00",""
"4311319","6.0997","0.0003","6.0997","0.0003","17.2694","0.0012","90","","90","","120","","556.45","0.05","293","2","293","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Al13 Ba7 -","- Al13 Ba7 -","- Al13 Ba7 -","1","0.0833333","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0343","0.0283","","","0.0669","0.0746","","","","","","0.589","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4326718","4.7236","0.0003","4.7236","0.0003","7.6512","0.001","90","","90","","120","","147.84","0.02","173","2","173","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Bi2 Ca Mg2 -","- Bi2 Ca Mg2 -","- Bi2 Ca Mg2 -","1","0.0833333","","Andrew F. May; Michael A. McGuire; David J. Singh; Radu Custelcean; Gerald E. Jellison","Structure and Properties of Single Crystalline CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2","Inorganic Chemistry","2011","50","","11127","11133","10.1021/ic2016808","","","0.71073","MoKα","","0.0146","0.0142","","","0.0326","0.0327","","","","","","1.209","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326719","4.7716","0.0003","4.7716","0.0003","7.8365","0.0012","90","","90","","120","","154.52","0.03","173","2","173","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Bi2 Eu Mg2 -","- Bi2 Eu Mg2 -","- Bi2 Eu Mg2 -","1","0.0833333","","Andrew F. May; Michael A. McGuire; David J. Singh; Radu Custelcean; Gerald E. Jellison","Structure and Properties of Single Crystalline CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2","Inorganic Chemistry","2011","50","","11127","11133","10.1021/ic2016808","","","0.71073","MoKα","","0.0192","0.0192","","","0.0486","0.0486","","","","","","1.189","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326720","4.7258","0.0004","4.7258","0.0004","7.6453","0.0014","90","","90","","120","","147.87","0.03","173","2","173","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Bi2 Mg2 Yb -","- Bi2 Mg2 Yb -","- Bi2 Mg2 Yb -","1","0.0833333","","Andrew F. May; Michael A. McGuire; David J. Singh; Radu Custelcean; Gerald E. Jellison","Structure and Properties of Single Crystalline CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2","Inorganic Chemistry","2011","50","","11127","11133","10.1021/ic2016808","","","0.71073","MoKα","","0.0172","0.0172","","","0.0436","0.0437","","","","","","1.071","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4328598","3.8855","0.0011","3.8855","","6.1846","0.0018","90","","90","","120","","80.86","0.03","298","","298","","","","","","","","Syn","2","P -3 m 1","-P 3 2""","164","Thorium Nitride","Thorium Nitride","","- N3 Th2 -","- N3 Th2 -","- N3 Th2 -","1","0.0833333","","G. W. Chinthaka Silva; Charles B. Yeamans; Philppe F. Weck; John D. Hunn; Gary S. Cerefice; Alfred P. Sattelberger; Ken R. Czerwinski","Synthesis and Characterization of Th2N2(NH) Isomorphous to Th2N3","Inorganic Chemistry","2012","51","","3332","3340","10.1021/ic300025b","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.12032","","0.95","","","","","","","has coordinates,has Fobs","179388","2020-10-21","18:00:00",""
"4329009","5.4708","0.0008","5.4708","0.0008","10.64","0.002","90","","90","","120","","275.79","0.08","153.15","","153.15","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C0.1 B0.9 Ba2 Cl1.1 O3 -","- C0.097 B0.903 Ba2 Cl1.097 O3 -","- C0.194 B1.806 Ba4 Cl2.194 O6 -","2","0.166667","","Jing Zhao; R. K. Li","Ba2(BO3)1-x(CO3)xCl1+x: A Mixed Borate and Carbonate Chloride Crystallized from High-Temperature Solution","Inorganic Chemistry","2012","51","","4568","4571","10.1021/ic3005135","","","0.71073","MoKα","","0.0224","0.021","","","0.0397","0.0401","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329623","8.2475","0.0002","8.2475","0.0002","14.2734","0.0008","90","","90","","120","","840.82","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Cs2 Ga6 Ge3 Te14 -","- Cs2 Ga6 Ge3 Te14 -","- Cs2 Ga6 Ge3 Te14 -","1","0.0833333","","Cheng-Yi Zhang; Liu-Jiang Zhou; Ling Chen","Quaternary Tellurides with Different Valent Ge Centers: Cs2Ge3M6Te14 (M = Ga, In)","Inorganic Chemistry","2012","51","","7007","7009","10.1021/ic300599q","","","0.71073","MoKα","","0.0218","0.0212","","","0.0472","0.0475","","","","","","1.067","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329624","8.5404","0.0002","8.5404","0.0002","14.6766","0.0008","90","","90","","120","","927.07","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Cs2 Ge3 In6 Te14 -","- Cs2 Ge3 In6 Te14 -","- Cs2 Ge3 In6 Te14 -","1","0.0833333","","Cheng-Yi Zhang; Liu-Jiang Zhou; Ling Chen","Quaternary Tellurides with Different Valent Ge Centers: Cs2Ge3M6Te14 (M = Ga, In)","Inorganic Chemistry","2012","51","","7007","7009","10.1021/ic300599q","","","0.71073","MoKα","","0.0245","0.0234","","","0.05","0.0507","","","","","","1.069","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4331323","5.8889","0.0008","5.8889","0.0008","7.6295","0.0015","90","","90","","120","","229.14","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- K3 O8 V2 Y -","- K3 O8 V2 Y -","- K3 O8 V2 Y -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","x-ray","0.71073","MoKα","","0.0381","0.0381","","","0.0942","0.0942","","","","","","1.143","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331324","5.7638","0.0008","5.7638","0.0008","7.4746","0.0015","90","","90","","120","","215.05","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- K3 O8 Sc V2 -","- K3 O8 Sc V2 -","- K3 O8 Sc V2 -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","","0.71073","MoKα","","0.0296","0.0291","","","0.0739","0.0743","","","","","","1.254","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331325","5.9016","0.0008","5.9016","0.0008","7.6047","0.0015","90","","90","","120","","229.38","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Dy K3 O8 V2 -","- Dy K3 O8 V2 -","- Dy K3 O8 V2 -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","","0.71073","MoKα","","0.0403","0.0403","","","0.1059","0.1059","","","","","","1.189","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331326","5.8453","0.0008","5.8453","0.0008","7.5694","0.0015","90","","90","","120","","223.98","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- K3 O8 V2 Yb -","- K3 O8 V2 Yb -","- K3 O8 V2 Yb -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","","0.71073","MoKα","","0.0332","0.0331","","","0.0749","0.0749","","","","","","1.17","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331327","5.8798","0.0008","5.8798","0.0008","7.6035","0.0015","90","","90","","120","","227.65","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Er K3 O8 V2 -","- Er K3 O8 V2 -","- Er K3 O8 V2 -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","","0.71073","MoKα","","0.0228","0.0228","","","0.051","0.051","","","","","","1.156","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331328","5.8495","0.0008","5.8495","0.0008","7.5737","0.0015","90","","90","","120","","224.43","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ho K3 O8 V2 -","- Ho K3 O8 V2 -","- Ho K3 O8 V2 -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","","0.71073","MoKα","","0.0359","0.0308","","","0.0521","0.057","","","","","","1.19","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331329","5.855","0.002","5.855","0.002","7.578","0.003","90","","90","","120","","224.98","0.14","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- K3 Lu O8 V2 -","- K3 Lu O8 V2 -","- K3 Lu O8 V2 -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","","0.71073","MoKα","","0.0234","0.0234","","","0.0587","0.0587","","","","","","1.398","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331330","5.8835","0.0008","5.8835","0.0008","7.6085","0.0015","90","","90","","120","","228.09","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- K3 O8 Tm V2 -","- K3 O8 Tm V2 -","- K3 O8 Tm V2 -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","","0.71073","MoKα","","0.0354","0.0345","","","0.0822","0.0831","","","","","","1.224","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4334188","4.0662","0.0003","4.0662","0.0003","7.412","0.0005","90","","90","","120","","106.131","0.013","173","2","173","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Sodium zinc silicon arsenide (1/1.5/0.5/2)","Sodium zinc silicon arsenide (1/1.5/0.5/2)","","- As2 Na Si0.53 Zn1.47 -","- As2 Na Si0.534 Zn1.466 -","- As2 Na Si0.534 Zn1.466 -","1","0.0833333","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0243","0.0227","","","0.0462","0.0483","","","","","","1.195","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334189","4.0948","0.0003","4.0948","0.0003","7.4463","0.0005","90","","90","","120","","108.128","0.013","173","2","173","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Sodium zinc germanium arsenide (1/1.5/0.5/2)","Sodium zinc germanium arsenide (1/1.5/0.5/2)","","- As2 Ge0.5 Na Zn1.5 -","- As2 Ge0.5 Na Zn1.5 -","- As2 Ge0.5 Na Zn1.5 -","1","0.0833333","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0321","0.0315","","","0.0841","0.0846","","","","","","1.347","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334190","4.1637","0.0002","4.1637","0.0002","7.509","0.0004","90","","90","","120","","112.738","0.01","173","2","173","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Sodium zinc tin arsenide (1/1.5/0.5/2)","Sodium zinc tin arsenide (1/1.5/0.5/2)","","- As2 Na Sn0.49 Zn1.49 -","- As2 Na Sn0.488 Zn1.492 -","- As2 Na Sn0.488 Zn1.492 -","1","0.0833333","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0148","0.0141","","","0.0332","0.0335","","","","","","1.155","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334191","4.3726","0.0002","4.3726","0.0002","7.4647","0.0004","90","","90","","120","","123.601","0.01","173","2","173","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Sodium cadmium tin arsenide (1/1.5/0.5/2)","Sodium cadmium tin arsenide (1/1.5/0.5/2)","","- As2 Cd1.48 Na Sn0.5 -","- As2 Cd1.484 Na Sn0.5 -","- As2 Cd1.484 Na Sn0.5 -","1","0.0833333","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0244","0.0241","","","0.0603","0.0605","","","","","","1.268","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334192","4.1985","0.0005","4.1985","0.0005","8.1471","0.0009","90","","90","","120","","124.37","0.03","173","2","173","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Potassium zinc tin arsenide (1/1.5/0.5/2)","Potassium zinc tin arsenide (1/1.5/0.5/2)","","- As2 K Sn0.46 Zn1.54 -","- As2 K Sn0.464 Zn1.538 -","- As2 K Sn0.464 Zn1.538 -","1","0.0833333","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0131","0.013","","","0.0316","0.0317","","","","","","1.173","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334193","4.4174","0.0003","4.4174","0.0003","8.1638","0.0005","90","","90","","120","","137.961","0.016","173","2","173","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Potassium cadmium tin arsenide (1/1.5/0.5/2)","Potassium cadmium tin arsenide (1/1.5/0.5/2)","","- As2 Cd1.5 K Sn0.5 -","- As2 Cd1.5 K Sn0.5 -","- As2 Cd1.5 K Sn0.5 -","1","0.0833333","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.019","0.0185","","","0.0439","0.0441","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334194","4.4263","0.0007","4.4263","0.0007","8.4586","0.0014","90","","90","","120","","143.52","0.04","173","2","173","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Rubidium cadmium tin arsenide (1/1.5/0.5/2)","Rubidium cadmium tin arsenide (1/1.5/0.5/2)","","- As2 Cd1.5 Rb Sn0.5 -","- As2 Cd1.5 Rb Sn0.5 -","- As2 Cd1.5 Rb Sn0.5 -","1","0.0833333","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0239","0.0233","","","0.0604","0.0607","","","","","","1.186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335228","5.943","0.001","5.943","0.001","4.738","0.001","90","","90","","120","","144.92","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Ammonium hexafluorotechnetate(IV)","Ammonium hexafluorotechnetate(IV)","","- F6 N2 Tc -","- F6 H8 N2 Tc -","- F6 H8 N2 Tc -","1","0.0833333","","Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram","Hexafluoridotechnetate(IV) Revisited","Inorganic Chemistry","2013","52","","7094","7099","10.1021/ic400775e","","","0.71073","MoKα","","0.0544","0.0544","","","0.167","0.167","","","","","","1.389","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4335229","5.958","0.001","5.958","0.001","4.757","0.001","90","","90","","120","","146.24","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Sodium hexafluorotechnetate(IV)","Sodium hexafluorotechnetate(IV)","","- F6 Na2 Tc -","- F6 Na2 Tc -","- F6 Na2 Tc -","1","0.0833333","","Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram","Hexafluoridotechnetate(IV) Revisited","Inorganic Chemistry","2013","52","","7094","7099","10.1021/ic400775e","","","0.71073","MoKα","","0.0819","0.0819","","","0.2035","0.2035","","","","","","1.257","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335230","5.796","0.001","5.796","0.001","4.6135","0.001","90","","90","","120","0.012","134.22","0.05","213","2","213","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Potassium hexafluorotechnetate(IV)","Potassium hexafluorotechnetate(IV)","","- F6 K2 Tc -","- F6 K2 Tc -","- F6 K2 Tc -","1","0.0833333","","Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram","Hexafluoridotechnetate(IV) Revisited","Inorganic Chemistry","2013","52","","7094","7099","10.1021/ic400775e","","","0.71073","MoKα","","0.0141","0.0136","","","0.0285","0.0285","","","","","","1.145","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335231","5.949","0.001","5.949","0.001","4.759","0.001","90","","90","","120","","145.86","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Rubidium hexafluorotechnetate","Rubidium hexafluorotechnetate","","- F6 Rb2 Tc -","- F6 Rb2 Tc -","- F6 Rb2 Tc -","1","0.0833333","","Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram","Hexafluoridotechnetate(IV) Revisited","Inorganic Chemistry","2013","52","","7094","7099","10.1021/ic400775e","","","0.71073","MoKα","","0.0432","0.0429","","","0.1089","0.1097","","","","","","1.14","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335232","6.24","0.001","6.24","0.001","4.98","0.001","90","","90","","120","","167.93","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Caesium hexafluorotechnetate(IV)","Caesium hexafluorotechnetate(IV)","","- Cs2 F6 Tc -","- Cs2 F6 Tc -","- Cs2 F6 Tc -","1","0.0833333","","Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram","Hexafluoridotechnetate(IV) Revisited","Inorganic Chemistry","2013","52","","7094","7099","10.1021/ic400775e","","","0.71073","MoKα","","0.0535","0.0522","","","0.1267","0.1267","","","","","","1.501","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335280","4.254","0.007","4.254","0.007","27.82","0.05","90","","90","","120","","436","1.3","296","2","296","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","praseodymium zinc arsenide (7/1.8/8)","praseodymium zinc arsenide (7/1.8/8)","","- As8 Pr7 Zn1.8 -","- As8 Pr7 Zn1.758 -","- As8 Pr7 Zn1.758 -","1","0.0833333","","Xinsong Lin; Arthur Mar","Homologous Series of Rare-Earth Zinc Arsenides REZn2-xAs2.n(REAs) (RE= La-Nd, Sm;n= 3, 4, 5, 6)","Inorganic Chemistry","2013","52","","7261","7270","10.1021/ic400933v","","","0.71073","MoKα","","0.078","0.038","","","0.0922","0.1093","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335281","4.315","0.002","4.315","0.002","17.692","0.01","90","","90","","120","","285.3","0.2","296","2","296","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","lanthanum zinc arsenide (4/1.67/5)","lanthanum zinc arsenide (4/1.67/5)","","- As5 La4 Zn1.67 -","- As5 La4 Zn1.662 -","- As5 La4 Zn1.662 -","1","0.0833333","","Xinsong Lin; Arthur Mar","Homologous Series of Rare-Earth Zinc Arsenides REZn2-xAs2.n(REAs) (RE= La-Nd, Sm;n= 3, 4, 5, 6)","Inorganic Chemistry","2013","52","","7261","7270","10.1021/ic400933v","","","0.71073","MoKα","","0.0339","0.0224","","","0.045","0.0483","","","","","","1.045","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335282","4.288","0.006","4.288","0.006","17.59","0.03","90","","90","","120","","280.1","0.7","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","cerium manganese zinc arsenide (4/0.6/1.2/5)","cerium manganese zinc arsenide (4/0.6/1.2/5)","","- As5 Ce4 Mn0.59 Zn1.16 -","- As5 Ce4 Mn0.58 Zn1.16 -","- As5 Ce4 Mn0.58 Zn1.16 -","1","0.0833333","","Xinsong Lin; Arthur Mar","Homologous Series of Rare-Earth Zinc Arsenides REZn2-xAs2.n(REAs) (RE= La-Nd, Sm;n= 3, 4, 5, 6)","Inorganic Chemistry","2013","52","","7261","7270","10.1021/ic400933v","","","0.71073","MoKα","","0.0477","0.0312","","","0.0819","0.0981","","","","","","1.093","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335283","4.245","0.002","4.245","0.002","17.385","0.017","90","","90","","120","","271.3","0.3","296","2","296","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","praseodymium zinc arsenide (4/1.68/5)","praseodymium zinc arsenide (4/1.68/5)","","- As5 Pr4 Zn1.68 -","- As5 Pr4 Zn1.682 -","- As5 Pr4 Zn1.682 -","1","0.0833333","","Xinsong Lin; Arthur Mar","Homologous Series of Rare-Earth Zinc Arsenides REZn2-xAs2.n(REAs) (RE= La-Nd, Sm;n= 3, 4, 5, 6)","Inorganic Chemistry","2013","52","","7261","7270","10.1021/ic400933v","","","0.71073","MoKα","","0.0219","0.0172","","","0.0368","0.0382","","","","","","1.064","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335284","4.2409","0.0007","4.2409","0.0007","17.39","0.003","90","","90","","120","","270.86","0.08","296","2","296","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","praseodymium zinc arsenide (4/1.80/5)","praseodymium zinc arsenide (4/1.80/5)","","- As5 Pr4 Zn1.8 -","- As5 Pr4 Zn1.804 -","- As5 Pr4 Zn1.804 -","1","0.0833333","","Xinsong Lin; Arthur Mar","Homologous Series of Rare-Earth Zinc Arsenides REZn2-xAs2.n(REAs) (RE= La-Nd, Sm;n= 3, 4, 5, 6)","Inorganic Chemistry","2013","52","","7261","7270","10.1021/ic400933v","","","0.71073","MoKα","","0.0373","0.026","","","0.0628","0.066","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336712","3.8557","0.0003","3.8557","0.0003","6.7928","0.0007","90","","90","","120","","87.455","0.013","298","","298","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Fe1.56 Na0.98 S2 -","- Fe1.558 Na0.978 S2 -","- Fe1.558 Na0.978 S2 -","1","0.0833333","","Xiaofang Lai; Xiaolong Chen; Shifeng Jin; Gang Wang; Tingting Zhou; Tianping Ying; Han Zhang; Shijie Shen; Wanyan Wang","New Layered Iron Sulfide NaFe1.6S2: Synthesis and Characterization","Inorganic Chemistry","2013","52","","12860","12862","10.1021/ic4016349","powder diffraction","","1.5418","CuKα","","","","","","","","","7.3302","1.418","","","","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4337517","19.2623","0.0006","19.2623","0.0006","7.7318","0.0002","90","","90","","120","","2484.43","0.13","100","","100.07","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl F83 K30 O18 V18 -","- Cl F83 K30 O18 V18 -","- Cl F83 K30 O18 V18 -","1","0.0833333","","Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.","Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.","Inorganic chemistry","2014","53","1","221","228","10.1021/ic402177j","","","0.71073","MoKα","","0.0623","0.0613","","","0.1754","0.1774","","","","","","1.132","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4340510","4.234","0.002","4.234","0.002","7.198","0.004","90","","90","","120","","111.75","0.1","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","europium manganese zinc arsenide (1/0.5/1.5/2)","europium manganese zinc arsenide (1/0.5/1.5/2)","","- As2 Eu Mn0.44 Zn1.56 -","- As2 Eu Mn0.44 Zn1.56 -","- As2 Eu Mn0.44 Zn1.56 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0399","0.0255","","","0.0394","0.0429","","","","","","1.162","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340511","4.109","0.003","4.109","0.003","6.703","0.005","90","","90","","120","","98.01","0.12","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","gadolinium manganese zinc arsenide (0.5/0.4/1.6/2)","gadolinium manganese zinc arsenide (0.5/0.4/1.6/2)","","- As2 Gd0.5 Mn0.4 Zn1.6 -","- As2 Gd0.517 Mn0.39 Zn1.61 -","- As2 Gd0.517 Mn0.39 Zn1.61 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0529","0.034","","","0.0531","0.0598","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340512","4.1135","0.0004","4.1135","0.0004","6.7246","0.0007","90","","90","","120","","98.542","0.017","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","terbium manganese zinc arsenide (0.5/0.4/1.6/2)","terbium manganese zinc arsenide (0.5/0.4/1.6/2)","","- As2 Mn0.4 Tb0.5 Zn1.6 -","- As2 Mn0.418 Tb0.516 Zn1.582 -","- As2 Mn0.418 Tb0.516 Zn1.582 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.028","0.0248","","","0.0486","0.05","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340513","4.1023","0.0009","4.1023","0.0009","6.7197","0.0016","90","","90","","120","","97.93","0.04","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","dysprosium manganese zinc arsenide (0.5/0.4/1.6/2)","dysprosium manganese zinc arsenide (0.5/0.4/1.6/2)","","- As2 Dy0.53 Mn0.42 Zn1.58 -","- As2 Dy0.526 Mn0.42 Zn1.58 -","- As2 Dy0.526 Mn0.42 Zn1.58 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0367","0.0307","","","0.0599","0.0618","","","","","","1.094","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340514","4.091","0.003","4.091","0.003","6.7","0.011","90","","90","","120","","97.11","0.19","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","holmium manganese zinc arsenide (0.5/0.4/1.6/2)","holmium manganese zinc arsenide (0.5/0.4/1.6/2)","","- As2 Ho0.53 Mn0.39 Zn1.61 -","- As2 Ho0.526 Mn0.388 Zn1.612 -","- As2 Ho0.526 Mn0.388 Zn1.612 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0482","0.0318","","","0.0675","0.0724","","","","","","1.094","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340515","4.103","0.005","4.103","0.005","6.722","0.007","90","","90","","120","","98","0.2","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","erbium manganese zinc arsenide (0.5/0.4/1.6/2)","erbium manganese zinc arsenide (0.5/0.4/1.6/2)","","- As2 Er0.5 Mn0.4 Zn1.6 -","- As2 Er0.511 Mn0.38 Zn1.62 -","- As2 Er0.511 Mn0.38 Zn1.62 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0403","0.0307","","","0.0427","0.0447","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340516","4.098","0.0018","4.098","0.0018","6.664","0.003","90","","90","","120","","96.92","0.07","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","thulium manganese zinc arsenide (0.4/0.2/1.8/2)","thulium manganese zinc arsenide (0.4/0.2/1.8/2)","","- As2 Mn0.21 Tm0.43 Zn1.79 -","- As2 Mn0.21 Tm0.434 Zn1.79 -","- As2 Mn0.21 Tm0.434 Zn1.79 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0267","0.0212","","","0.0439","0.0452","","","","","","1.109","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340517","4.1682","0.0006","4.1682","0.0006","6.9478","0.001","90","","90","","120","","104.54","0.03","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","ytterbium manganese zinc arsenide (0.9/0.3/1.7/2)","ytterbium manganese zinc arsenide (0.9/0.3/1.7/2)","","- As2 Mn0.3 Yb0.95 Zn1.7 -","- As2 Mn0.32 Yb0.945 Zn1.68 -","- As2 Mn0.32 Yb0.945 Zn1.68 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0208","0.0181","","","0.0392","0.04","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340518","4.0932","0.0009","4.0932","0.0009","6.6433","0.0014","90","","90","","120","","96.39","0.04","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","lutetium manganese zinc arsenide (0.4/0.2/1.8/2)","lutetium manganese zinc arsenide (0.4/0.2/1.8/2)","","- As2 Lu0.4 Mn0.2 Zn1.8 -","- As2 Lu0.419 Mn0.196 Zn1.804 -","- As2 Lu0.419 Mn0.196 Zn1.804 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0249","0.0213","","","0.0487","0.0502","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340519","4.159","0.002","4.159","0.002","13.639","0.007","90","","90","","120","","204.31","0.17","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","lanthanum manganese zinc arsenide (1.3/0.9/3.1/4)","lanthanum manganese zinc arsenide (1.3/0.9/3.1/4)","","- As4 La1.23 Mn0.93 Zn3.07 -","- As4 La1.246 Mn0.932 Zn3.068 -","- As4 La1.246 Mn0.932 Zn3.068 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0594","0.0519","","","0.1109","0.1127","","","","","","1.147","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340520","4.156","0.005","4.156","0.005","13.569","0.016","90","","90","","120","","203","0.4","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","cerium manganese zinc arsenide (1.3/0.8/3.2/4)","cerium manganese zinc arsenide (1.3/0.8/3.2/4)","","- As4 Ce1.3 Mn0.83 Zn3.17 -","- As4 Ce1.3 Mn0.828 Zn3.172 -","- As4 Ce1.3 Mn0.828 Zn3.172 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0495","0.0445","","","0.123","0.125","","","","","","1.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340521","4.1533","0.0004","4.1533","0.0004","13.5629","0.0013","90","","90","","120","","202.61","0.03","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","praseodymium manganese zinc arsenide (1.3/0.9/3.1/4)","praseodymium manganese zinc arsenide (1.3/0.9/3.1/4)","","- As4 Mn0.95 Pr1.25 Zn3.05 -","- As4 Mn0.954 Pr1.253 Zn3.046 -","- As4 Mn0.954 Pr1.253 Zn3.046 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0393","0.0328","","","0.0934","0.0971","","","","","","1.164","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340522","4.1283","0.0017","4.1283","0.0017","13.513","0.006","90","","90","","120","","199.45","0.15","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","neodymium manganese zinc arsenide (1.3/1.0/3.0/4)","neodymium manganese zinc arsenide (1.3/1.0/3.0/4)","","- As4 Mn0.95 Nd1.25 Zn3.05 -","- As4 Mn0.952 Nd1.249 Zn3.048 -","- As4 Mn0.952 Nd1.249 Zn3.048 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0755","0.0667","","","0.1398","0.1436","","","","","","1.236","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340523","4.124","0.0019","4.124","0.0019","13.507","0.006","90","","90","","120","","198.94","0.16","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","samarium manganese zinc arsenide (1.2/0.9/3.1/4)","samarium manganese zinc arsenide (1.2/0.9/3.1/4)","","- As4 Mn0.87 Sm1.24 Zn3.13 -","- As4 Mn0.872 Sm1.24 Zn3.128 -","- As4 Mn0.872 Sm1.24 Zn3.128 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.1008","0.0511","","","0.1329","0.153","","","","","","1.062","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340524","4.118","0.0014","4.118","0.0014","13.5","0.005","90","","90","","120","","198.26","0.12","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","gadolinium manganese zinc arsenide (1.2/0.9/3.1/4)","gadolinium manganese zinc arsenide (1.2/0.9/3.1/4)","","- As4 Gd1.24 Mn0.93 Zn3.07 -","- As4 Gd1.242 Mn0.936 Zn3.066 -","- As4 Gd1.242 Mn0.936 Zn3.066 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0642","0.0475","","","0.1278","0.1354","","","","","","1.223","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4343180","5.5153","0.0004","5.5153","0.0004","10.571","0.002","90","","90","","120","","278.47","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Cs O12 Se2 Ta3 -","- Cs O12 Se2 Ta3 -","- Cs O12 Se2 Ta3 -","1","0.0833333","","Cao, Xue-Li; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","Cs(TaO2)3(SeO3)2 and Cs(TiOF)3(SeO3)2: Structural and Second Harmonic Generation Changes Induced by the Different d(0)-TM Coordination Octahedra.","Inorganic chemistry","2015","54","8","3875","3882","10.1021/acs.inorgchem.5b00052","","","0.71073","MoKα","","0.0473","0.0423","","","0.1053","0.1142","","","","","","1.165","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344249","4.0851","","4.0851","","6.9824","","90","","90","","120","","100.912","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Sc0.93 I2","","- I2 Sc0.93 -","- I2 Sc0.919 -","- I2 Sc0.919 -","1","0.0833333","","McCollum, B.C.; Dudis, D.S.; Lachgar, A.; Corbett, J.D.","The layered, metallic scandium iodide Sc0.93 I2: Synthesis, structure, and properties","Inorganic Chemistry","1990","29","","2030","2032","","","","","","","","","","","","","","","","","","","","","","has coordinates","162385","2020-10-21","18:00:00",""
"4344371","3.456","","3.456","","6.02","","90","","90","","120","","62.269","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Li (Cr S2)","","- Cr Li S2 -","- Cr Li S2 -","- Cr Li S2 -","1","0.0833333","","White, J.G.; Pinch, H.L.","The crystal structure of lithium thiochromite, Li Cr S2","Inorganic Chemistry","1970","9","","2581","2583","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344524","3.379","","3.379","","38.713","","90","","90","","120","","382.793","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Zr1.05 Cl2","","- Cl2 Zr1.05 -","- Cl2 Zr1.04667 -","- Cl12 Zr6.28 -","6","0.5","","Cisar, A.; Daake, R.L.; Corbett, J.D.","The zirconium dichloride phase region. Synthesis, structure, and photoelectron spectral studies of 3R Zr Cl2, 6T-Zr1.05 Cl2 and related phases","Inorganic Chemistry","1979","18","","836","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","173827","2020-10-21","18:00:00",""
"4346756","13.9566","0.0003","13.9566","0.0003","30.4997","0.001","90","","90","","120","","5145","0.2","150","","150","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C36 H49.5 La1.75 N6 O28.75 Ru -","- C36 La1.75 N6 O28.75 Ru -","- C144 La7 N24 O115 Ru4 -","4","0.333333","","Watanabe, Ayako; Kobayashi, Atsushi; Saitoh, Erika; Nagao, Yuki; Yoshida, Masaki; Kato, Masako","Visualization of Ion Conductivity: Vapochromic Luminescence of an Ion-Conductive Ruthenium(II) Metalloligand-Based Porous Coordination Polymer.","Inorganic chemistry","2015","54","23","11058","11060","10.1021/acs.inorgchem.5b02077","","","0.71075","MoKα","","0.0989","0.0847","","","0.2218","0.2294","","","","","","1.134","","","","has coordinates","231961","2020-10-21","18:00:00",""
"4349977","18.429","0.003","18.429","0.003","15.739","0.003","90","","90","","120","","4629.3","1.4","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C25 H43 Cl Cu2 N8 O10 -","- C9 H3 Cl Cu2 N4 O6 -","- C54 H18 Cl6 Cu12 N24 O36 -","6","0.5","","Yuan, Jiaqi; Li, Jiantang; Che, Songtian; Li, Guanghua; Liu, Xinyao; Sun, Xiaodong; Zou, Lifei; Zhang, Lirong; Liu, Yunling","Two unique copper cluster-based metal‒organic frameworks with high performance for CO2 adsorption and separation","Inorganic Chemistry Frontiers","2019","6","2","556","","10.1039/C8QI01315B","","","0.71073","MoKα","","0.049","0.0383","","","0.1321","0.1358","","","","","","1.115","","","","has coordinates,has disorder","236995","2020-10-21","18:00:00",""
"4500257","15.2229","0.0001","15.2229","0.0001","6.8862","0.0001","90","","90","","120","","1381.99","0.02","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C20 H36 Cu8 I6 N8 -","- C20.06 Cu8 I6 N8 -","- C20.06 Cu8 I6 N8 -","1","0.0833333","","Zhang, Ying; He, Xinwei; Zhang, Jian; Feng, Pingyun","CuI Cluster-Based Organic Frameworks with Unusual 4- and 5-Connected Topologies","Crystal Growth & Design","2011","11","1","29","","10.1021/cg101321u","","","0.71073","MoKα","","0.066","0.0467","","","0.1342","0.1441","","","","","","1.116","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4515376","18.6055","0.0011","18.6055","0.0011","6.9528","0.0004","90","","90","","120","","2084.4","0.2","200","2","200","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C22 H20 Cu2 O12 -","- C22 H20 Cu2 O12 -","- C66 H60 Cu6 O36 -","3","0.25","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","0.71073","MoKα","","0.042","0.0348","","","0.0958","0.0999","","","","","","1.064","","","","has coordinates,has disorder","225529","2020-10-21","18:00:00",""
"4515379","18.767","0.004","18.767","0.004","7.015","0.002","90","0.03","90","0.03","120","0.03","2139.7","1.1","199","2","199","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C20 H16 Cu2 O12 -","- C20 H16 Cu2 O12 -","- C60 H48 Cu6 O36 -","3","0.25","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","0.71073","MoKα","","0.0656","0.0456","","","0.1178","0.1271","","","","","","1.077","","","","has coordinates,has disorder","225532","2020-10-21","18:00:00",""
"4515381","18.4598","0.0007","18.4598","0.0007","8.9338","0.0004","90","","90","","120","","2636.46","0.18","200","2","200","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C24 H10 Cu2 O12 -","- C24 H10 Cu2 O12 -","- C72 H30 Cu6 O36 -","3","0.25","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.0926","0.0838","","","0.256","0.2779","","","","","","1.037","","","","has coordinates,has disorder","225534","2020-10-21","18:00:00",""
"5910006","3.63","","3.63","","5.85","","90","","90","","120","","66.757","","","","","","","","","","","","","2","P -3 m 1","","","","Zirconium disulphide","","- S2 Zr -","- S2 Zr -","- S2 Zr -","","","","","","The second edition of Structure of Crystals","","","","232","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910026","3.63","","3.63","","5.85","","90","","90","","120","","66.757","","","","","","","","","","","","","2","P -3 m 1","","","","Zirconium diselenide","","- Se2 Zr -","- Se2 Zr -","- Se2 Zr -","","","","","","The second edition of Structure of Crystals","","","","232","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910085","3.53","","3.53","","5.01","","90","","90","","120","","54.065","","","","","","","","","","","","","2","P -3 m 1","","","","Platinum sulphide","","- Pt S2 -","- Pt S2 -","- Pt S2 -","","","","","","The second edition of Structure of Crystals","","","","232","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910212","7.28","","7.28","","8.9","","90","","90","","120","","408.492","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cl9 Cs3 Fe2 -","- Cl45 Cs5 Fe4 -","- Cl45 Cs5 Fe4 -","","","","Wyckoff, R. W. G.","Page 478 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","478","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910351","7.61","","7.61","","9.32","","90","","90","","120","","467.429","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cl9 Cs3 Sb2 -","- Cl45 Cs5 Sb4 -","- Cl45 Cs5 Sb4 -","","","","Wyckoff, R. W. G.","Page 478 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","478","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000283","5.561","","5.561","","4.1708","","90","","90","","120","","111.7","","","","","","","","","","","","","3","P -3 m 1","","","","","","- H6 Mg Sr2 -","","","","","","Bertheville, B.; Yvon, K.","High-pressure synthesis and crystal structure of Sr2MgH6","Journal of Alloys and Compounds","1999","288","","197","199","10.1016/S0925-8388(99)00090-0","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000284","5.5458","","5.5458","","4.163","","90","","90","","120","","110.88","","","","","","","","","","","","","3","P -3 m 1","","","","","","- D6 Mg Sr2 -","","","","","","Bertheville, B.; Yvon, K.","High-pressure synthesis and crystal structure of Sr2MgH6","Journal of Alloys and Compounds","1999","288","","197","199","10.1016/S0925-8388(99)00090-0","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000566","3.1455","","3.1455","","4.7646","","90","","90","","120","","40.83","","","","","","","","","","","","","3","P -3 m 1","","","","","","- D2 Mg O2 -","","","","","","Partin, D. E.; Okeeffe, M.; Vondreele, R. B.","Crystal-structure and profile fitting of Mg(OD)2 by time-of-flight neutron-diffraction","Journal of Applied Crystallography","1994","27","","581","584","10.1107/S0021889893008672","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000607","4.051","","4.051","","5.1382","","90","","90","","120","","73.02","","","","","","","","","","","","","3","P -3 m 1","","","","","","- Cu Ni Sb2 -","","","","","","Kabalov, Y.; Sokolova, E.","Discovery of new minerals zlatogorite, turkestanite and belovite-(La) by Rietveld refinement from X-ray powder diffraction data","Epdic 5","1998","278","2","785","790","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000755","4.282","0.001","4.282","0.001","28.636","0.005","90","","90","","120","","454.71","0.17","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Silver antimony telluride","","- Ag0.24 Sb10.76 Te4 -","- Ag0.24 Sb10.76 Te4 -","- Ag0.24 Sb10.76 Te4 -","1","0.0833333","","Schneider, Matthias N.; Seibald, Markus; Oeckler, Oliver","A new series of long-range ordered metastable phases in the system M‒Sb‒Te (M = Ge, Ag)","Dalton Transactions","2009","","11","2004","2011","10.1039/b814000f","","","0.71073","MoKα","","0.0839","0.0538","","","0.1023","0.1207","","","","","","1.064","","","","has coordinates","179685","2020-10-21","18:00:00",""
"7004449","18.559","0.0003","18.559","0.0003","10.98","0.0002","90","","90","","120","","3275.23","0.1","150","2","150","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C14.5 H20.5 Cu N1.5 O6.5 S -","- C10 H3 Cu O5 S -","- C60 H18 Cu6 O30 S6 -","6","0.5","","Burrows, Andrew D.; Frost, Christopher G.; Mahon, Mary F.; Winsper, Melanie; Richardson, Christopher; Attfield, J. Paul; Rodgers, Jennifer A.","Subtle structural variation in copper metal-organic frameworks: syntheses, structures, magnetic properties and catalytic behaviour","Dalton Transactions","2008","","47","6788","6795","10.1039/b807063f","","","0.71073","MoKα","","0.063","0.0526","","","0.1554","0.1644","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020138","3.59247","0.00019","3.59247","","4.9082","0.0004","90","","90","","120","","54.858","0.005","298","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","Ca(OH)2","","","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Nielsen, Renie Birkedal; Norby, Poul; Kongshaug, Kjell Ove; Fjellvåg, Helmer","Synthesis, crystal structure and thermal properties of Ca6(C12H14O4)4(CO3)(OH)2(H2O)x‒a 3D inorganic hybrid material.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12082","12089","10.1039/c2dt30651d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7031377","4.2579","0.0001","4.2579","0.0001","17.3657","0.0014","90","","90","","120","","272.66","0.02","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","germanium tin antimony telluride","","","- Ge1.3 Sb2 Sn0.7 Te5 -","- Ge1.3 Sb2 Sn0.7 Te5 -","- Ge1.3 Sb2 Sn0.7 Te5 -","1","0.0833333","","Welzmiller, Simon; Rosenthal, Tobias; Ganter, Pirmin; Neudert, Lukas; Fahrnbauer, Felix; Urban, Philipp; Stiewe, Christian; de Boor, Johannes; Oeckler, Oliver","Layered germanium tin antimony tellurides: element distribution, nanostructures and thermoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10529","10540","10.1039/c4dt00336e","","x-ray","0.38979","synchrotron","","0.047","0.0393","","","0.0722","0.0753","","","","1.53","1.53","1.41","","","","has coordinates","288070","2023-12-06","12:56:41",""
"7031380","4.27486","0.00007","4.27486","0.00007","17.4165","0.0008","90","","90","","120","","275.636","0.014","297","2","297","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Germanium Tin Antimony Telluride","Germanium Tin Antimony Telluride","","- Ge Sb2 Sn Te5 -","- Ge Sb2 Sn Te5 -","- Ge Sb2 Sn Te5 -","1","0.0833333","","Welzmiller, Simon; Rosenthal, Tobias; Ganter, Pirmin; Neudert, Lukas; Fahrnbauer, Felix; Urban, Philipp; Stiewe, Christian; de Boor, Johannes; Oeckler, Oliver","Layered germanium tin antimony tellurides: element distribution, nanostructures and thermoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10529","10540","10.1039/c4dt00336e","powder diffraction","x-ray","","CuKα~1~","","","","","","","","","0.01581","1.43","","","","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7033135","5.4474","0.0004","5.4474","0.0004","7.3624","0.0005","90","","90","","120","","189.2","0.02","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","sodium calcium barium phosphate","disodium monocalcium monobarium phosphate","","- Ba Ca Na2 O8 P2 -","- Ba Ca Na2 O8 P2 -","- Ba Ca Na2 O8 P2 -","1","0.0833333","","Kim, Minsung; Kobayashi, Makoto; Kato, Hideki; Yamane, Hisanori; Sato, Yasushi; Kakihana, Masato","Crystal structures and luminescence properties of Eu²⁺-activated new NaBa0.5Ca0.5PO₄ and Na₃Ba₂Ca(PO₄)₃.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1900","1904","10.1039/c4dt03024a","","","0.71075","MoKα","","0.0168","0.0168","","","0.0408","0.0408","","","","","","1.154","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7035411","5.7931","0","5.7931","0","18.9035","0.0002","90","","90","","120","","549.408","0.006","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","Perovskite","- Ba8 Nb6 O24 Zn -","- Ba8 Nb6 O24 Zn0.083 -","- Ba8 Nb6 O24 Zn0.083 -","1","0.0833333","","Lu, Fengqi; Wang, Xiaoming; Pan, Zhengwei; Pan, Fengjuan; Chai, Shiqiang; Liang, Chaolun; Wang, Quanchao; Wang, Jing; Fang, Liang; Kuang, Xiaojun; Jing, Xiping","Nanometer-scale separation of d(10) Zn(2+)-layers and twin-shift competition in Ba8ZnNb6O24-based 8-layered hexagonal perovskites.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13173","13185","10.1039/c5dt00859j","","","","","","","","","","","","","","","","","","","","","has coordinates","209421","2020-10-21","18:00:00",""
"7037019","4.1703","0.0006","4.1703","0.0006","23.981","0.003","90","","90","","120","","361.19","0.09","296","2","296","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","samarium zinc arsenide (4.4/4/7)","samarium zinc arsenide (4.4/4/7)","","- As7 Sm4.4 Zn4 -","- As7 Sm4.385 Zn4 -","- As7 Sm4.385 Zn4 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Mar, Arthur","Narrowing the gap: from semiconductor to semimetal in the homologous series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd, Sm, Gd).","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20254","20264","10.1039/c5dt03596a","","","0.71073","MoKα","","0.0359","0.0281","","","0.0634","0.0668","","","","","","1.106","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037024","4.197","0.003","4.197","0.003","24.204","0.015","90","","90","","120","","369.2","0.4","296","2","296","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","neodymium zinc arsenide (4.4/4/7)","neodymium zinc arsenide (4.4/4/7)","","- As7 Nd4.4 Zn4 -","- As7 Nd4.41 Zn4 -","- As7 Nd4.41 Zn4 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Mar, Arthur","Narrowing the gap: from semiconductor to semimetal in the homologous series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd, Sm, Gd).","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20254","20264","10.1039/c5dt03596a","","","0.71073","MoKα","","0.0454","0.0292","","","0.0477","0.0513","","","","","","1.061","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7038069","3.6215","0.0003","3.6215","0.0003","5.65","0.003","90","","90","","120","","64.17","0.03","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0201","0.0201","","","0.0456","0.0456","","","","","","1.235","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038070","3.6067","0.0003","3.6067","0.0003","5.544","0.002","90","","90","","120","","62.46","0.02","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0198","0.0198","","","0.0407","0.0407","","","","","","1.223","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038071","3.5074","0.0007","3.5074","0.0007","4.978","0.004","90","","90","","120","","53.03","0.05","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0201","0.0201","","","0.0468","0.0468","","","","","","1.313","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038072","3.5455","0.0003","3.5455","0.0003","5.257","0.003","90","","90","","120","","57.23","0.03","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.018","0.018","","","0.0503","0.0503","","","","","","1.549","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038073","3.639","0.0003","3.639","0.0003","5.7853","0.0019","90","","90","","120","","66.35","0.02","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.021","0.021","","","0.0502","0.0502","","","","","","1.257","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038074","3.5766","0.0004","3.5766","0.0004","5.393","0.003","90","","90","","120","","59.75","0.03","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0165","0.0165","","","0.0344","0.0344","","","","","","1.174","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038075","3.5343","0.0004","3.5343","0.0004","5.068","0.003","90","","90","","120","","54.82","0.03","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0138","0.0138","","","0.0309","0.0309","","","","","","1.422","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038076","3.5362","0.0004","3.5362","0.0004","5.1","0.003","90","","90","","120","","55.23","0.03","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0158","0.0158","","","0.0389","0.0389","","","","","","1.318","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038077","3.5272","0.0004","3.5272","0.0004","5.026","0.003","90","","90","","120","","54.15","0.03","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0209","0.0209","","","0.0459","0.0459","","","","","","1.398","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038078","3.5388","0.0003","3.5388","0.0003","5.175","0.002","90","","90","","120","","56.12","0.02","298","","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","Tin disulfide","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0171","0.0171","","","0.0416","0.0416","","","","","","1.264","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038079","3.6456","0.0004","3.6456","0.0004","5.8934","0.0011","90","","90","","120","","67.832","0.016","294.05","0.1","294.05","0.1","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","x-ray","0.71073","MoKα","","0.0236","0.0236","","","0.0513","0.0513","","","","","","1.142","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038080","3.6339","0.0002","3.6339","0.0002","5.7322","0.0017","90","","90","","120","","65.55","0.02","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0218","0.0218","","","0.0509","0.0509","","","","","","1.149","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038081","3.5983","0.0004","3.5983","0.0004","5.494","0.003","90","","90","","120","","61.6","0.04","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0159","0.0159","","","0.0304","0.0304","","","","","","1.383","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038082","3.5605","0.0004","3.5605","0.0004","5.317","0.003","90","","90","","120","","58.37","0.03","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0186","0.0186","","","0.0453","0.0453","","","","","","1.394","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7039019","18.4978","0.0019","18.4978","0.0019","6.7746","0.0007","90","","90","","120","","2007.5","0.4","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C11 H10 Cu O7 -","- C11 H8 Cu O7.00007 -","- C66 H48 Cu6 O42.0004 -","6","0.5","","Sha, Yunfei; Bai, Shizhe; Lou, Jiaying; Wu, Da; Liu, Baizhan; Ling, Yun","Tuning the adsorption behaviors of water, methanol, and ethanol in a porous material by varying the flexibility of substituted groups.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7235","7239","10.1039/c6dt00658b","","","0.71073","MoKα","","0.0563","0.0438","","","0.1368","0.1568","","","","","","1.2","","","","has coordinates","182739","2020-10-21","18:00:00",""
"7039788","5.7946","0.0001","5.7946","0.0001","11.7876","0.0002","90","","90","","120","","342.77","0.01","298","","298","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Pentabarium Tetraniobium Oxide","","- Ba5 Nb4 O15 -","- Ba5 Nb4 O15 -","- Ba5 Nb4 O15 -","1","0.0833333","","Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya","The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12559","12568","10.1039/c6dt02095j","powder diffraction","x-ray","0.70926","MoKα~1~","","0.021","","","","","","","","","","","","","","","has coordinates","185460","2020-10-21","18:00:00",""
"7039789","5.79575","0.0001","5.79575","0.0001","11.7965","0.0002","90","","90","","120","","343.165","0.01","298","","298","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Pentabarium Tantalum Triniobium Oxide","","- Ba5 Nb3 O15 Ta -","- Ba5 Nb3 O15 Ta -","- Ba5 Nb3 O15 Ta -","1","0.0833333","","Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya","The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12559","12568","10.1039/c6dt02095j","powder diffraction","x-ray","0.70926","MoKα~1~","","0.025","","","","","","","","","","","","","","","has coordinates","185460","2020-10-21","18:00:00",""
"7039790","5.7947","0.0002","5.7947","0.0001","11.803","0.0002","90","","90","","120","","343.23","0.014","298","","298","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Pentabarium Diniobium Ditantalum Oxide","","- Ba5 Nb2 O15 Ta2 -","- Ba5 Nb2 O15 Ta2 -","- Ba5 Nb2 O15 Ta2 -","1","0.0833333","","Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya","The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12559","12568","10.1039/c6dt02095j","powder diffraction","x-ray","0.70926","MoKα~1~","","0.023","","","","","","","","","","","","","","","has coordinates","185460","2020-10-21","18:00:00",""
"7039791","5.79455","0.00006","5.79455","0.00006","11.8158","0.0001","90","","90","","120","","343.584","0.006","298","","298","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Pentabarium Niobium Tritantalum Oxide","","- Ba5 Nb O15 Ta3 -","- Ba5 Nb O15 Ta3 -","- Ba5 Nb O15 Ta3 -","1","0.0833333","","Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya","The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12559","12568","10.1039/c6dt02095j","powder diffraction","x-ray","0.70926","MoKα~1~","","0.024","","","","","","","","","","","","","","","has coordinates","185460","2020-10-21","18:00:00",""
"7039792","5.7892","0.0001","5.7892","0.0001","11.8202","0.0002","90","","90","","120","","343.078","0.01","298","","298","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Pentabarium Tetratantalum Oxide","","- Ba5 O15 Ta4 -","- Ba5 O15 Ta4 -","- Ba5 O15 Ta4 -","1","0.0833333","","Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya","The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12559","12568","10.1039/c6dt02095j","powder diffraction","x-ray","0.70926","MoKα~1~","","0.027","","","","","","","","","","","","","","","has coordinates","185460","2020-10-21","18:00:00",""
"7040216","6.83663","0.00014","6.83663","0.00014","9.14429","0.00019","90","","90","","120","","370.139","0.013","298","","298","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Iron Manganese Silicon Tin Oxide","","- Fe3.19 Mn0.81 O16 Si2 Sn7 -","- Fe3.187 Mn0.813 O16.0007 Si2.00012 Sn7.00024 -","- Fe3.187 Mn0.813 O16.0007 Si2.00012 Sn7.00024 -","1","0.0833333","","Allison, M. C.; Avdeev, M.; Schmid, S.; Liu, S.; Söhnel, T; Ling, C. D.","Synthesis, structure and geometrically frustrated magnetism of the layered oxide-stannide compounds Fe(Fe3-xMnx)Si2Sn7O16.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9689","9694","10.1039/c6dt01074a","powder diffraction","","1.6215","neutron","","","","","","","","","4.4786","1.6","","","","","","","has coordinates","185070","2020-10-21","18:00:00",""
"7043163","7.16723","0.00011","7.16723","0.00011","7.15737","0.00019","90","","90","","120","","318.41","0.011","393","","393","","","","","","","","","4","P -3 m 1","-P 3 2""","164","Diammine Disodium Dodecahydro-closo-dodecaborate","Diammine Disodium Dodecahydro-closo-dodecaborate","","- B12 H18 N2 Na2 -","- B12 H18 N2 Na2 -","- B12 H18 N2 Na2 -","1","0.0833333","","Hansen, Bjarne R. S.; Tumanov, Nikolay; Santoru, Antonio; Pistidda, Claudio; Bednarcik, Jozef; Klassen, Thomas; Dornheim, Martin; Filinchuk, Yaroslav; Jensen, Torben Rene R.","Synthesis, structures and thermal decomposition of ammine MxB12H12 complexes (M = Li, Na, Ca)","Dalton Trans.","2017","","","","","10.1039/C7DT01414G","powder diffraction","","0.775","synchrotron","","","","","","","","","13.0338","1.85","","","","","","","has coordinates","197060","2020-10-21","18:00:00",""
"7043255","15.466","0.002","15.466","0.002","7.0105","0.0014","90","","90","","120","","1452.2","0.4","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C15 H11 Cl3 Mn3 N6 O7 -","- C15 H9 Cl3 Mn3 N6 O7 -","- C30 H18 Cl6 Mn6 N12 O14 -","2","0.166667","","Sun, Rui; Gao, Su-Mei; Wang, Shao-Qiang; Song, Wei-Chao; zhao, Jiong Peng; liu, fuchen","Co-ligand Tuned Pyrimidine-2-carboxylate Mn(II) Complexes from 2D 63 Layer to Interpenetrated Srs-net","Dalton Trans.","2017","","","","","10.1039/C7DT01045A","","","0.71073","MoKα","","0.1191","0.0842","","","0.16","0.1735","","","","","","1.078","","","","has coordinates","197553","2020-10-21","18:00:00",""
"7043488","6.8227","0.0005","6.8227","0.0005","5.6249","0.0005","90","","90","","120","","226.76","0.03","173","2","173","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl3 Cu3 H6 O6 Sm -","- Cl3 Cu3 H6 O6 Sm -","- Cl3 Cu3 H6 O6 Sm -","1","0.0833333","","Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides","Dalton Trans.","2017","","","","","10.1039/C7DT01798G","","","0.71073","MoKα","","0.0138","0.0136","","","0.0352","0.0354","","","","","","1.053","","","","has coordinates","198193","2020-10-21","18:00:00",""
"7043489","6.7982","0.0004","6.7982","0.0004","5.6062","0.0003","90","","90","","120","","224.38","0.02","173","2","173","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl3 Cu3 Gd H6 O6 -","- Cl3 Cu3 Gd H6 O6 -","- Cl3 Cu3 Gd H6 O6 -","1","0.0833333","","Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides","Dalton Trans.","2017","","","","","10.1039/C7DT01798G","","","0.71073","MoKα","","0.0091","0.0091","","","0.0255","0.0255","","","","","","1.049","","","","has coordinates","198194","2020-10-21","18:00:00",""
"7043490","6.8645","0.0007","6.8645","0.0007","5.6391","0.0012","90","","90","","120","","230.12","0.06","173","2","173","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl3 Cu3 H6 Nd O6 -","- Cl3 Cu3 H6 Nd O6 -","- Cl3 Cu3 H6 Nd O6 -","1","0.0833333","","Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides","Dalton Trans.","2017","","","","","10.1039/C7DT01798G","","","0.71073","MoKα","","0.0109","0.0109","","","0.037","0.0371","","","","","","1.038","","","","has coordinates","198195","2020-10-21","18:00:00",""
"7055135","10.3845","0.0009","10.3845","0.0009","6.4739","0.0008","90","","90","","120","","604.6","0.11","298","2","298","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- B3 Li O9 Sr Tb2 -","- B3 Li O9 Sr Tb2 -","- B9 Li3 O27 Sr3 Tb6 -","3","0.25","","Chen, Pengyun; Xia, Mingjun; Li, R. K.","A terbium rich orthoborate LiSrTb2(BO3)3and its analogues","New J. Chem.","2015","39","12","9389","","10.1039/C5NJ01913C","","","0.71073","MoKα","","0.0378","0.0311","","","0.0704","0.0732","","","","","","1.147","","","","has coordinates","171295","2020-10-21","18:00:00",""
"7059319","16.977","0.003","16.977","0.003","7.282","0.002","90","","90","","120","","1817.6","0.7","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- B19 Ba24 O57 Rb9 -","- B19 Ba24 O57 Rb9 -","- B19 Ba24 O57 Rb9 -","1","0.0833333","","Niu, Xiaowen; Wang, Li","Synthesis, characterization and crystal structure of a new mixed alkali and alkaline-earth metal borate Rb9Ba24(BO3)19","New Journal of Chemistry","2020","44","10","3882","3887","10.1039/C9NJ06320J","","","0.71073","MoKα","","0.0355","0.027","","","0.0605","0.0633","","","","","","1.043","","","","has coordinates","257657","2020-10-21","18:00:00",""
"7102674","18.325","0.006","18.325","0.006","13.871","0.009","90","","90","","120","","4034","3","193","2","193","2","","","","","","","","8","P -3 m 1","-P 3 2""","164","","","","- C128 H136 B6 F18 N18 O20 Rh6 S6 -","- C114 H120 B6 N18 Rh6 -","- C114 H120 B6 N18 Rh6 -","1","0.0833333","","Kuhlman, Matthew L; Yao, Haijun; Rauchfuss, Thomas B","Synthesis and characterization of the hexagonal prismatic cage [THF[subset or is implied by][PhB(CN)(3)](6)[Cp*Rh](6)](6+).","Chemical communications (Cambridge, England)","2004","","12","1370","1371","10.1039/b401505c","","","0.71073","MoKα","","0.0559","0.0406","","","0.1313","0.1362","","","","","","1.033","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7108525","17.06","0.0017","17.06","0.0017","9.2376","0.0018","90","","90","","120","","2328.3","0.6","100","2","100","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C51 H48 N3 O9 Yb -","- C39 H21 O6 Yb -","- C78 H42 O12 Yb2 -","2","0.166667","","Yabing He; Shengchang Xiang; Zhangjing Zhang; Shunshun Xiong; Frank R. Fronczek; Rajamani Krishna; Michael O'Keeffe; Banglin Chen","A microporous lanthanide-tricarboxylate framework with the potential for purification of natural gas","Chem.Commun.","2012","48","","10856","","10.1039/c2cc35729a","","","0.71073","MoKα","","0.0722","0.0496","","","0.1587","0.1722","","","","","","1.072","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7127218","11.1833","0.0009","11.1833","0.0009","3.6304","0.0004","90","","90","","120","","393.21","0.06","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C6 Cl Cu3 K4 N6 O6 -","- C6 Cl Cu3 K4.02 N6 O6 -","- C6 Cl Cu3 K4.02 N6 O6 -","1","0.0833333","","Kang, Kaijin; Liang, Fei; Meng, Xianghe; Tang, Jian; Zeng, Tixian; Xia, Mingjun; Lin, Zheshuai; Yin, Wenlong; Bin, Kang","K<sub>4</sub>Cu<sub>3</sub>(C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p-p and d-p conjugated π-bonds.","Chemical communications (Cambridge, England)","2020","56","83","12534","12537","10.1039/d0cc04547k","","","0.71073","MoKα","","0.0391","0.0335","","","0.0893","0.0934","","","","","","1.091","","","","has coordinates","260615","2021-01-07","04:34:45",""
"7127219","11.2089","0.0008","11.2089","0.0008","3.7195","0.0004","90","","90","","120","","404.71","0.06","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C6 Br Cu3 K4 N6 O6 -","- C6 Br Cu3 K4.02 N6 O6 -","- C6 Br Cu3 K4.02 N6 O6 -","1","0.0833333","","Kang, Kaijin; Liang, Fei; Meng, Xianghe; Tang, Jian; Zeng, Tixian; Xia, Mingjun; Lin, Zheshuai; Yin, Wenlong; Bin, Kang","K<sub>4</sub>Cu<sub>3</sub>(C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p-p and d-p conjugated π-bonds.","Chemical communications (Cambridge, England)","2020","56","83","12534","12537","10.1039/d0cc04547k","","","0.71073","MoKα","","0.0653","0.0563","","","0.1641","0.1733","","","","","","1.119","","","","has coordinates","260615","2021-01-07","04:34:45",""
"7203810","4.10077","","4.10077","","7.09933","","90","","90","","120","","103.39","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","?","- P2.00012 Sr Zn2.00012 -","- P2.00012 Sr Zn2.00012 -","","","","Kabbour, Houria; Cario, Laurent; Boucher, Florent","Rational design of new inorganic compounds with the ZrSiCuAs structure type using 2D building blocks","Journal of Materials Chemistry","2005","15","34","3525","","10.1039/b506031a","powder diffraction","","","X-ray","","","","","","","","","6.3285","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204814","3.42","0.006","3.42","","5.938","0.011","90","","90","","120","","60.15","0.15","293","","293","","","","","","","","","2","P -3 m 1","-P 3 2""","164","1T niobium disulfide","niobium disulfide","","- Nb S2 -","- Nb S2 -","- Nb S2 -","1","0.0833333","","Carmalt, Claire J.; Manning, Troy D.; Parkin, Ivan P.; Peters, Emily S.; Hector, Andrew L.","Formation of a new (1T) trigonal NbS2 polytype via atmospheric pressure chemical vapour depositionElectronic supplementary information (ESI) available: structure refinements of the NbS2 films and crystallographic data in CIF format. See http://www.rsc.org/suppdata/jm/b3/b315782m/","Journal of Materials Chemistry","2004","14","3","290","","10.1039/b315782m","powder diffraction","x-ray","1.2982","synchrotron","","","","","","","","0.36152","","1.38","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215138","4.2457","0.0004","4.2457","0.0004","17.449","0.003","90","","90","","120","","272.4","0.06","744","2","744","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0008 Sb1.9992 Te5 -","- Ge2.0008 Sb1.9992 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0621","0.0348","","","0.0373","0.0396","","","","1.69","1.69","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215139","4.2418","0.0004","4.2418","0.0004","17.445","0.004","90","","90","","120","","271.83","0.07","692","2","692","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0006 Sb1.9994 Te5 -","- Ge2.0006 Sb1.9994 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0582","0.0353","","","0.0373","0.039","","","","1.65","1.65","1.32","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215140","4.2257","0.0002","4.2257","0.0002","17.281","0.002","90","","90","","120","","267.24","0.04","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","","0.56085","AgKα","","0.0558","0.035","","","0.0399","0.0417","","","","1.91","1.91","1.63","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215141","4.2257","0.0002","4.2257","0.0002","17.2809","0.0018","90","","90","","120","","267.24","0.03","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge1.876 Sb2.039 Te5 -","- Ge1.86 Sb2.04 Te5 -","- Ge1.86 Sb2.04 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0371","0.0275","","","0.0324","0.0334","","","","1.43","1.43","1.28","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215142","4.2374","0.0002","4.2374","0.0002","17.3459","0.0018","90","","90","","120","","269.73","0.03","486","2","486","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge1.999 Sb2.001 Te5 -","- Ge1.999 Sb2.001 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0446","0.0298","","","0.0346","0.0359","","","","1.55","1.55","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215143","4.2434","0.0003","4.2434","0.0003","17.389","0.002","90","","90","","120","","271.16","0.04","589","2","589","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0567","0.036","","","0.0383","0.0401","","","","1.7","1.7","1.37","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7220792","6.2979","0.0018","6.2979","","4.4984","0.001","90","","90","","120","","154.52","0.06","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- C2 Li2 Te -","- C2 Li2 Te -","- C2 Li2 Te -","1","0.0833333","","Nemeth, Karoly; Unni, Aditya Krishnan; Kalnmals, Christopher; Segre, Carlo U.; Kaduk, James A.; Bloom, Ira; Maroni, Victor","The Synthesis of Ternary Acetylides with Tellurium: LiTeC2 and Na2TeC2","RSC Adv.","2015","","","","","10.1039/C5RA08983B","powder diffraction","x-ray","1.54063","Kα~1~","","","","","","","","0.7934","","2.24","","","","","","","has coordinates","139316","2020-10-21","18:00:00",""
"7221116","4.7","","4.7","","17.12","","90","","90","","120","","327.514","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Li13 Sn5 -","- Li13 Sn5 -","- Li13 Sn5 -","1","0.0833333","","Frank, U.; Mueller, W.","Darstellung und Struktur der Phase Li13 Sn5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1975","30","","316","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221118","4.05","","4.05","","4.89","","90","","90","","120","","69.462","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ga3 Ni2 -","- Ga3 Ni2 -","- Ga3 Ni2 -","1","0.0833333","","Hellner, E.; Laves, F.","Kristallchemie des In und Ga in Legierungen mit einigen Uebergangselementen (Ni, Pd, Pt, Cu, Ag und Au)","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1947","2","","177","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221119","4.22","","4.22","","5.17","","90","","90","","120","","79.734","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ga3 Pt2 -","- Ga3 Pt2 -","- Ga3 Pt2 -","1","0.0833333","","Hellner, E.; Laves, F.","Kristallchemie des In und Ga in Legierungen mit einigen Uebergangselementen (Ni, Pd, Pt, Cu, Ag und Au)","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1947","2","","177","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221199","4.34","","4.34","","7.13","","90","","90","","120","","116.305","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ca Mg2 As2","","- As2 Ca Mg2 -","- As2 Ca Mg2 -","- As2 Ca Mg2 -","1","0.0833333","","Deller, K.; Eisenmann, B.","Ternaere Erdalkali-Element(V)-Verbindungen A Mg2 B2 mit A = Ca, Sr, Ba und B = As, Sb, Bi","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","612","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221200","4.66","","4.66","","7.58","","90","","90","","120","","142.551","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Ca Mg2 Sb2 -","- Ca Mg2 Sb2 -","- Ca Mg2 Sb2 -","1","0.0833333","","Deller, K.; Eisenmann, B.","Ternaere Erdalkali-Element(V)-Verbindungen A Mg2 B2 mit A = Ca, Sr, Ba und B = As, Sb, Bi","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","612","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221201","4.7","","4.7","","7.83","","90","","90","","120","","149.792","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sr Mg2 Sb2","","- Mg2 Sb2 Sr -","- Mg2 Sb2 Sr -","- Mg2 Sb2 Sr -","1","0.0833333","","Deller, K.; Eisenmann, B.","Ternaere Erdalkali-Element(V)-Verbindungen A Mg2 B2 mit A = Ca, Sr, Ba und B = As, Sb, Bi","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","612","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221202","4.77","","4.77","","8.1","","90","","90","","120","","159.607","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Ba Mg2 Sb2 -","- Ba Mg2 Sb2 -","- Ba Mg2 Sb2 -","1","0.0833333","","Deller, K.; Eisenmann, B.","Ternaere Erdalkali-Element(V)-Verbindungen A Mg2 B2 mit A = Ca, Sr, Ba und B = As, Sb, Bi","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","612","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221203","4.73","","4.73","","7.68","","90","","90","","120","","148.804","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ca Mg2 Bi2","","- Bi2 Ca Mg2 -","- Bi2 Ca Mg2 -","- Bi2 Ca Mg2 -","1","0.0833333","","Deller, K.; Eisenmann, B.","Ternaere Erdalkali-Element(V)-Verbindungen A Mg2 B2 mit A = Ca, Sr, Ba und B = As, Sb, Bi","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","612","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221204","4.86","","4.86","","8.22","","90","","90","","120","","168.142","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ba Mg2 Bi2","","- Ba Bi2 Mg2 -","- Ba Bi2 Mg2 -","- Ba Bi2 Mg2 -","1","0.0833333","","Deller, K.; Eisenmann, B.","Ternaere Erdalkali-Element(V)-Verbindungen A Mg2 B2 mit A = Ca, Sr, Ba und B = As, Sb, Bi","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","612","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221212","4.104","","4.104","","5.165","","90","","90","","120","","75.338","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Sr Ge2","","- Ge2 Sr -","- Ge2 Sr -","- Ge2 Sr -","1","0.0833333","","Evers, J.; Oehlinger, G.; Weiss, A.","Kristallstruktur von Sr Ge2 bei hohen Drucken","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","524","524","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221213","3.891","","3.891","","5.048","","90","","90","","120","","66.187","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ca0.65 Sr0.35 Si2","","- Ca0.65 Si2 Sr0.35 -","- Ca0.65 Si2 Sr0.35 -","- Ca0.65 Si2 Sr0.35 -","1","0.0833333","","Evers, J.; Oehlinger, G.; Weiss, A.","Umwandlung gewellter Si-Schichten in einen Si-Raumnetzverband","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","358","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","145075","2020-10-21","18:00:00",""
"7221217","4.038","","4.038","","6.836","","90","","90","","120","","96.531","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ca Zn2 P2","","- Ca P2 Zn2 -","- Ca P2 Zn2 -","- Ca P2 Zn2 -","1","0.0833333","","Kluefers, P.; Mewis, A.","A B2 X2 - Verbindungen im Ca Al2 Si2-Typ. III. Zur Struktur der Verbindungen Ca Zn2 P2, Ca Cd2 P2, Ca Zn2 As2 und Ca Cd2 As2.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","753","756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221218","4.277","","4.277","","7.031","","90","","90","","120","","111.385","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Ca Cd2 P2 -","- Ca Cd2 P2 -","- Ca Cd2 P2 -","1","0.0833333","","Kluefers, P.; Mewis, A.","A B2 X2 - Verbindungen im Ca Al2 Si2-Typ. III. Zur Struktur der Verbindungen Ca Zn2 P2, Ca Cd2 P2, Ca Zn2 As2 und Ca Cd2 As2.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","753","756","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221219","4.162","","4.162","","7.01","","90","","90","","120","","105.161","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ca Zn2 As2","","- As2 Ca Zn2 -","- As2 Ca Zn2 -","- As2 Ca Zn2 -","1","0.0833333","","Kluefers, P.; Mewis, A.","A B2 X2 - Verbindungen im Ca Al2 Si2-Typ. III. Zur Struktur der Verbindungen Ca Zn2 P2, Ca Cd2 P2, Ca Zn2 As2 und Ca Cd2 As2.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","753","756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221220","4.391","","4.391","","7.184","","90","","90","","120","","119.957","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ca Cd2 As2","","- As2 Ca Cd2 -","- As2 Ca Cd2 -","- As2 Ca Cd2 -","1","0.0833333","","Kluefers, P.; Mewis, A.","A B2 X2 - Verbindungen im Ca Al2 Si2-Typ. III. Zur Struktur der Verbindungen Ca Zn2 P2, Ca Cd2 P2, Ca Zn2 As2 und Ca Cd2 As2.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","753","756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221359","4.441","","4.441","","7.464","","90","","90","","120","","127.486","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ca Zn2 Sb2","","- Ca Sb2 Zn2 -","- Ca Sb2 Zn2 -","- Ca Sb2 Zn2 -","1","0.0833333","","Mewis, A.","A B2 X2-Verbindungen im Ca Al2 Si2-Typ, IV (1) Zur Struktur der Verbindungen Ca Zn2 Sb2, Ca Cd2 Sb2, Sr Zn2 Sb2 Und Sr Cd2 Sb2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","382","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221360","4.649","","4.649","","7.597","","90","","90","","120","","142.197","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Ca Cd2 Sb2 -","- Ca Cd2 Sb2 -","- Ca Cd2 Sb2 -","1","0.0833333","","Mewis, A.","A B2 X2-Verbindungen im Ca Al2 Si2-Typ, IV (1) Zur Struktur der Verbindungen Ca Zn2 Sb2, Ca Cd2 Sb2, Sr Zn2 Sb2 Und Sr Cd2 Sb2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","382","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221361","4.5","","4.5","","7.716","","90","","90","","120","","135.316","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sr Zn2 Sb2","","- Sb2 Sr Zn2 -","- Sb2 Sr Zn2 -","- Sb2 Sr Zn2 -","1","0.0833333","","Mewis, A.","A B2 X2-Verbindungen im Ca Al2 Si2-Typ, IV (1) Zur Struktur der Verbindungen Ca Zn2 Sb2, Ca Cd2 Sb2, Sr Zn2 Sb2 Und Sr Cd2 Sb2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","382","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221362","4.709","","4.709","","7.822","","90","","90","","120","","150.212","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sr Cd2 Sb2","","- Cd2 Sb2 Sr -","- Cd2 Sb2 Sr -","- Cd2 Sb2 Sr -","1","0.0833333","","Mewis, A.","A B2 X2-Verbindungen im Ca Al2 Si2-Typ, IV (1) Zur Struktur der Verbindungen Ca Zn2 Sb2, Ca Cd2 Sb2, Sr Zn2 Sb2 und Sr Cd2 Sb2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","382","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222181","4.196","","4.196","","11.437","","90","","90","","120","","174.387","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","La Al Si2","","- Al La Si2 -","- Al La Si2 -","- Al2 La2 Si4 -","2","0.166667","","Kranenberg, C.; Johrendt, D.; Mewis, A.; Kockelmann, W.","Kristall- und elektronische Struktur von La Al Si2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","620","625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222650","4.194","","4.194","","6.651","","90","","90","","120","","101.315","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Gd Al2 Si2","","- Al2 Gd Si2 -","- Al2 Gd Si2 -","- Al2 Gd Si2 -","1","0.0833333","","Nesper, R.; von Schnering, H.G.; Curda, J.","Gd Al2 Si2, ein unerwartete Verbindung im Ca Al2 Si2-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1982","37","","1514","1517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222675","4.695","","4.695","","7.724","","90","","90","","120","","147.45","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Eu Mg2 Sb2 -","- Eu Mg2 Sb2 -","- Eu Mg2 Sb2 -","1","0.0833333","","Wartenberg, F.; Kranenberg, C.; Johrendt, D.; Pocha, R.; Mewis, A.; Hoffmann, R.D.; Poettgen, R.; Mosel, B.D.","Neue Pnictide im (Ca Al2 Si2)-Typ und dessen Existenzgebiet","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1270","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222676","4.584","","4.584","","7.697","","90","","90","","120","","140.069","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Sr Li Al Sb2","","- Al Li Sb2 Sr -","- Al Li Sb2 Sr -","- Al Li Sb2 Sr -","1","0.0833333","","Wartenberg, F.; Kranenberg, C.; Pocha, R.; Poettgen, R.; Johrendt, D.; Hoffmann, R.D.; Mewis, A.; Mosel, B.D.","Neue Pnictide im (Ca Al2 Si2)-Typ und dessen Existenzgebiet","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1270","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222677","4.65","","4.65","","7.54","","90","","90","","120","","141.191","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Yb Mg2 Sb2","","- Mg2 Sb2 Yb -","- Mg2 Sb2 Yb -","- Mg2 Sb2 Yb -","1","0.0833333","","Wartenberg, F.; Kranenberg, C.; Pocha, R.; Poettgen, R.; Mewis, A.; Johrendt, D.; Mosel, B.D.; Hoffmann, R.D.","Neue Pnictide im (Ca Al2 Si2)-Typ und dessen Existenzgebiet","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1270","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222777","4.4492","","4.4492","","7.5448","","90","","90","","120","","129.343","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ba2 H3 Br","","- Ba2 Br H3 -","- Ba2 Br H3 -","- Ba2 Br H3 -","1","0.0833333","","Reckeweg, O.; Molstad, J.C.; Levy, S.; DiSalvo, F.J.","Syntheses and crystal structures of the new ternary barium halide hydrides Ba2 H3 X (X = Cl or Br)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","23","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222870","4.39","","4.39","","5.2","","90","","90","","120","","86.789","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- In3 Ni2 -","- In3 Ni2 -","- In3 Ni2 -","1","0.0833333","","Hellner, E.; Laves, F.","Kristallchemie des In und Ga in Legierungen mit einigen Uebergangselementen (Ni, Pd, Pt, Cu, Ag und Au)","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1947","2","","177","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7230872","7.7414","0.0005","7.7414","0.0005","7.0841","0.0007","90","","90","","120","","367.67","0.05","295","2","295","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","MA2AgInBr6","","","- C2 H12 Ag Br6 In N2 -","- C2.0004 H12.0024 Ag Br6 In N2.0004 -","- C2.0004 H12.0024 Ag Br6 In N2.0004 -","1","0.0833333","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.6","neutrons","","0.0628","0.0545","","","0.1144","0.1202","","","","","","1.041","","","","has coordinates,has disorder","228974","2020-10-21","18:00:00",""
"7230875","7.702","0.001","7.702","0.001","7.072","0.001","90","","90","","120","","363.31","0.08","213","2","213","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C2 H12 Ag Br6 In N2 -","- C1.0002 H12.0024 Ag Br6 In N2.0004 -","- C1.0002 H12.0024 Ag Br6 In N2.0004 -","1","0.0833333","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.71075","MoKα","","0.0246","0.0237","","","0.0569","0.0576","","","","","","1.136","","","","has coordinates,has disorder","228974","2020-10-21","18:00:00",""
"7233420","18.5382","0.0005","18.5382","0.0005","6.7599","0.0002","90","","90","","120","","2011.9","0.1","173","","173","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C10 H11 Cu N O5 -","- C10 H11 Cu N O5 -","- C60 H66 Cu6 N6 O30 -","6","0.5","","McHugh, Lauren N.; Olivera Perez, Leonardo J.; Wheatley, Paul S.; Cordes, David B.; Slawin, Alexandra M. Z.; Morris, Russell E.","Synthesis and structural characterisation of the copper MOF: STAM-NMe2","CrystEngComm","2019","21","36","5387","","10.1039/C9CE01035A","","x-ray","0.71073","MoKα","","0.0565","0.0367","","","0.0941","0.0992","","","","","","1.124","","","","has coordinates","223701","2020-10-21","18:00:00",""
"7235026","6.7436","0.0015","6.7436","0.0015","5.6182","0.0013","90","","90","","120","","221.26","0.09","173","2","173","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl3 Cu3 H6 O6 Y -","- Cl3 Cu3 H6 O6 Y -","- Cl3 Cu3 H6 O6 Y -","1","0.0833333","","Wei Sun; Ya-Xi Huang; Sergiy Nokhrin; Yuanming Pan; Jin-Xiao Mi","Perfect Kagome lattices in YCu3(OH)6Cl3: a new candidate for the quantum spin liquid state","Journal of Materials Chemistry C","2016","4","","8772","8777","10.1039/C6TC02399A","","","0.71073","MoKα","","0.0137","0.0137","","","0.042","0.042","","","","","","1.062","","","","has coordinates","227669","2020-10-21","18:00:00",""
"7235027","6.749","0.0009","6.749","0.0009","5.6244","0.0011","90","","90","","120","","221.86","0.06","295","2","295","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl3 Cu3 H6 O6 Y -","- Cl3 Cu3 H6 O6 Y0.999 -","- Cl3 Cu3 H6 O6 Y0.999 -","1","0.0833333","","Wei Sun; Ya-Xi Huang; Sergiy Nokhrin; Yuanming Pan; Jin-Xiao Mi","Perfect Kagome lattices in YCu3(OH)6Cl3: a new candidate for the quantum spin liquid state","Journal of Materials Chemistry C","2016","4","","8772","8777","10.1039/C6TC02399A","","","0.71073","MoKα","","0.028","0.0265","","","0.0683","0.0691","","","","","","1.079","","","","has coordinates","227669","2020-10-21","18:00:00",""
"7235807","28.105","0.0014","28.105","0.0014","14.598","0.0009","90","","90","","120","","9986","0.9","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C88 H112 Mn6 N6 O42 -","- C60 H30 Mn6 O38 -","- C180 H90 Mn18 O114 -","3","0.25","","He, Yuan-Chun; Yang, Jin; Kan, Wei-Qiu; Zhang, Hong-Mei; Liu, Ying-Ying; Ma, Jian-Fang","A new microporous anionic metal‒organic framework as a platform for highly selective adsorption and separation of organic dyes","Journal of Materials Chemistry A","2015","3","4","1675","","10.1039/C4TA05391E","","","0.71069","MoKα","","0.1963","0.0942","","","0.2297","0.2475","","","","","","1.123","","","","has coordinates","233345","2020-10-21","18:00:00",""
"7242227","6.015","0.001","6.015","0.001","4.68","0.001","90","","90","","120","","146.64","0.05","127","2","127","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","(NH4)2[ReF6]","Ammonium Hexafluoridorhenate(IV)","","- F6 N2 Re -","- F6 N2 Re -","- F6 N2 Re -","1","0.0833333","","Louis-Jean, James; Balasekaran, Samundeeswari M.; Lawler, Keith V.; Sanchis-Perucho, Adrián; Martínez-Lillo, José; Smith, Dean; Forster, Paul M.; Salamat, Ashkan; Poineau, Frederic","Coexistence of metamagnetism and slow relaxation of magnetization in ammonium hexafluoridorhenate","RSC Advances","2021","11","11","6353","6360","10.1039/D0RA10325J","","","0.71073","MoKα","","0.0282","0.0282","","","0.0764","0.0764","","","","","","1.457","","","","has coordinates","261514","2021-02-04","21:24:39",""
"7701111","8.366","0.007","8.366","0.007","10.183","0.009","90","","90","","120","","617.2","0.9","210","2","210","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C3 H15 Bi2 Br9 N6 -","- C3.0002 H14.9998 Bi2 Br9 N6 -","- C3.0002 H14.9998 Bi2 Br9 N6 -","1","0.0833333","","Mencel, K.; Starynowicz, P.; Siczek, M.; Piecha-Bisiorek, A; Jakubas, R.; Medycki, W.","Symmetry breaking structural phase transitions, dielectric properties and molecular motions of formamidinium cations in 1D and 2D hybrid compounds: (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Cl<sub>9</sub>] and (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Br<sub>9</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14829","14838","10.1039/c9dt02916h","","","0.71073","MoKα","","0.0909","0.0513","","","0.1045","0.1226","","","","","","1.037","","","","has coordinates","224042","2020-10-21","18:00:00",""
"7711680","8.363","0.003","8.363","0.003","6.553","0.002","90","","90","","120","","396.9","0.2","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ga0.89 Li4.37 Se4 Sn0.24 -","- Ga0.8932 Li4.368 Se4 Sn0.2387 -","- Ga1.7864 Li8.736 Se8 Sn0.4774 -","2","0.166667","","Sundaramoorthy, Santhoshkumar; Chernatynskiy, Aleksandr V.; Gerasimchuk, Nikolay; Choudhury, Amitava","Lithium Selenometallates of Triel Elements, Li5MSe4 (M = Al and Ga), Aliovalent Doping and Their Ionic Conductivity","Dalton Transactions","2022","","","","","10.1039/D2DT02843C","","","0.71073","MoKα","","0.038","0.0343","","","0.0962","0.098","","","","","","1.137","","","","has coordinates","278917","2022-11-02","23:50:38",""
"7714013","5.4662","0.0006","5.4662","0.0006","7.7027","0.0011","90","","90","","120","","199.32","0.04","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- K2 O8 P2 Rb Sc -","- K2 O8 P2 Rb Sc -","- K2 O8 P2 Rb Sc -","1","0.0833333","","Zhou, Jingfang; Gong, Pifu; Xia, Mingjun; Wu, Qian","Co-substitution Design: A New Glaserite-type Rare-earth Phosphate K2RbSc(PO4)2 with High Structural Tolerance","Dalton Transactions","2023","","","","","10.1039/D3DT02494F","","","0.71073","MoKα","","0.0631","0.0553","","","0.121","0.1256","","","","","","1.182","","","","has coordinates","286477","2023-09-22","22:55:10",""
"8100895","6.081","0.0012","6.081","0.0012","4.8653","0.001","90","","90","","120","","155.81","0.05","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- F6 H8 N2 Sn -","- F6 H18 N2 Sn -","- F6 H18 N2 Sn -","1","0.0833333","","Meyer, Gerd; Böhmer, Norbert","Refinement of the crystal structure of diammonium hexafluorostannate (IV), (NH~4~)~2~SnF~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","20","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101059","3.1059","0.0005","3.1059","0.0005","4.9464","0.0009","90","","90","","120","","41.323","0.012","293","2","293","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","tantalum hemicarbide","","","- C Ta2 -","- C Ta2 -","- C Ta2 -","1","0.0833333","","Lissner, Falk; Schleid, Thomas","Refinement of the crystal structure of ditantalum monocarbide, Ta~2~C","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","329","330","","","","","","","","0.0113","","","0.0258","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101147","4.1759","0.0003","4.1759","0.0003","7.1767","0.0004","90","","90","","120","","108.382","0.013","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Ca Ge2 -","- Al2 Ca Ge2 -","- Al2 Ca Ge2 -","1","0.0833333","","Carrillo-Cabrera, Wilder; Cardoso Gil, Raul; Grin, Yuri","Refinement of the crystal structure of monocalcium dialuminide digermanide, Ca[Al~2~Ge~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","501","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101148","3.7762","0.001","3.7762","0.001","6.227","0.001","90","","90","","120","","76.9","0.03","293","2","293","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","Iron dibromide","","","- Br2 Fe -","- Br2 Fe -","- Br2 Fe -","1","0.0833333","","Haberecht, Jörg; Borrmann, Horst; Kniep, Rüdiger","Refinement of the crystal structure of iron dibromide, FeBr~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","510","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101261","4.1789","0.0006","4.1789","0.0006","7.055","0.002","90","","90","","120","","106.7","0.04","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","YbAl2Ge2","","","- Al2 Ge2 Yb -","- Al2 Ge2 Yb -","- Al2 Ge2 Yb -","1","0.0833333","","Zhao, Jing-Tai; Paschen, Silke; Schnelle, Walter; Grin, Yuri","Crystal structure of ytterbium-dialuminium-digermanium, YbAl~2~Ge~2~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","2","200","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8102994","4.652","0.002","4.652","0.002","5.546","0.004","90","","90","","120","","103.94","0.1","293","2","293","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","","barium distannide","","- Ba Sn2 -","- Ba Sn2 -","- Ba Sn2 -","1","0.0833333","","Sung-Jin Kim; Thomas F. Fässler","Crystal structure of barium distannide, BaSn2","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","325","","","","","0.71073","MoKα","","0.0241","0.0207","","","0.0384","0.039","","","","","","1.138","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103404","3","","3","","5.74","","90","","90","","120","","44.739","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ag2 F -","- Ag2 F -","- Ag2 F -","1","0.0833333","","Seyfarth, H.; Ott, H.","Die Struktur des Silberfluorides Ag F2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1928","67","","430","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103563","4.028","","4.028","","6.469","","90","","90","","120","","90.896","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Th Cu2 P2","","- Cu2 P2 Th -","- Cu2 P2 Th -","- Cu2 P2 Th -","1","0.0833333","","Kluefers, P.; Mewis, A.; Schuster, H.U.","(A B2 X2) - Verbindungen im Ca Al2 Si2 -Typ, VI. Zur Struktur von Th Cu2 P2, Yb Zn2 P2 und Yb Zn Cu P2 sowie den verwandten Verbindungen Yb Cu3 P2 und Yb Cu2 P2","Zeitschrift fuer Kristallographie (149,1979-)","1979","149","","211","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103564","4.035","","4.035","","6.744","","90","","90","","120","","95.09","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Yb Zn2 P2","","- P2 Yb Zn2 -","- P2 Yb Zn2 -","- P2 Yb Zn2 -","1","0.0833333","","Kluefers, P.; Schuster, H.U.; Mewis, A.","(A B2 X2) - Verbindungen im Ca Al2 Si2 -Typ, VI. Zur Struktur von Th Cu2 P2, Yb Zn2 P2 und Yb Zn Cu P2 sowie den verwandten Verbindungen Yb Cu3 P2 und Yb Cu2 P2","Zeitschrift fuer Kristallographie (149,1979-)","1979","149","","211","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103565","3.946","","3.946","","6.462","","90","","90","","120","","87.139","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Yb Zn Cu P2","","- Cu P2 Yb Zn -","- Cu P2 Yb Zn -","- Cu P2 Yb Zn -","1","0.0833333","","Kluefers, P.; Mewis, A.; Schuster, H.U.","(A B2 X2) - Verbindungen im Ca Al2 Si2 -Typ, VI. Zur Struktur von Th Cu2 P2, Yb Zn2 P2 und Yb Zn Cu P2 sowie den verwandten Verbindungen Yb Cu3 P2 und Yb Cu2 P2","Zeitschrift fuer Kristallographie (149,1979-)","1979","149","","211","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103685","3.641","","3.641","","5.927","","90","","90","","120","","68.047","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Mg Cl2","","- Cl2 Mg -","- Cl2 Mg -","- Cl2 Mg -","1","0.0833333","","Bassi, I.W.; Polato, F.; Calcaterra, M.; Bart, J.C.J.","A new layer structure of Mg Cl2 with hexagonal close packing of the chlorine atoms","Zeitschrift fuer Kristallographie (149,1979-)","1982","159","","297","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103843","3.7113","","3.7113","","6.4878","","90","","90","","120","","77.389","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","(Lu1.33 Yb0.67) O2 S","","- Lu1.33 O2 S Yb0.67 -","- Lu1.33 O2 S Yb0.67 -","- Lu1.33 O2 S Yb0.67 -","1","0.0833333","","Li, P.-Y.; Range, K.J.; Andratschke, M.","Crystal structure of lutetium ytterbium oxide sulfide, (Lu1.33 Yb0.67) O2 S","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","49","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103850","3.7633","","3.7633","","9.4593","","90","","90","","120","","116.019","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Gd2 C Cl2","","- C Cl2 Gd2 -","- C Cl2 Gd2 -","- C Cl2 Gd2 -","1","0.0833333","","Schleid, T.; Meyer, G.","Crystal structure of digadolinium monocarbide dichloride (1T type), Gd2CCl2","Zeitschrift fuer Kristallographie (149,1979-)","1994","209","","371","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104155","3.743","","3.743","","6.523","","90","","90","","120","","79.144","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Tm2 O2 S","","- O2 S Tm2 -","- O2 S Tm2 -","- O2 S Tm2 -","1","0.0833333","","Range, K.J.; Gietl, A.; Klement, U.; Lange, K.G.","Crystal structure of thulium oxide sulfide","Zeitschrift fuer Kristallographie (149,1979-)","1993","208","","95","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9000030","3.835","","3.835","","5.255","","90","","90","","120","","66.932","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Melonite","- Ni Te2 -","- Ni Te2 -","- Ni Te2 -","1","0.0833333","","Peacock, M. A.; Thompson, R. M.","On melonite from Quebec and the crystal structure of NiTe2","American Mineralogist","1946","31","","204","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000112","3.585","","3.585","","4.871","","90","","90","","120","","54.216","","","","83.15","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Henderson, D. M.; Gutowsky, H. S.","A nuclear magnetic resonance determination of the hydrogen positions in Ca(OH)2 T = -190 C","American Mineralogist","1962","47","","1231","1251","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000113","3.5925","","3.5925","","4.905","","90","","90","","120","","54.823","","","","298.15","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Henderson, D. M.; Gutowsky, H. S.","A nuclear magnetic resonance determination of the hydrogen positions in Ca(OH)2 T = 25 C","American Mineralogist","1962","47","","1231","1251","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000613","3.638","","3.638","","5.88","","90","","90","","120","","67.396","","","","","","","","100","","","","","2","P -3 m 1","-P 3 2""","164","","","Berndtite-2T","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Hazen, R. M.; Finger, L. W.","The crystal structures and compressibilities of layer minerals at high pressure. I. SnS2, berndtite P = 1 atm","American Mineralogist","1978","63","","289","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:20",""
"9000614","3.616","","3.616","","5.68","","90","","90","","120","","64.318","","","","","","","","1200000","","","","","2","P -3 m 1","-P 3 2""","164","","","Berndtite-2T","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Hazen, R. M.; Finger, L. W.","The crystal structures and compressibilities of layer minerals at high pressure. I. SnS2, berndtite P = 12 kbar","American Mineralogist","1978","63","","289","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:25",""
"9000615","3.605","","3.605","","5.46","","90","","90","","120","","61.452","","","","","","","","3000000","","","","","2","P -3 m 1","-P 3 2""","164","","","Berndtite-2T","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Hazen, R. M.; Finger, L. W.","The crystal structures and compressibilities of layer minerals at high pressure. I. SnS2, berndtite P = 30 kbar","American Mineralogist","1978","63","","289","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:26",""
"9000678","4.422","","4.422","","24.05","","90","","90","","120","","407.271","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Tsumoite","- Bi Te -","- Bi Te -","- Bi6 Te6 -","6","0.5","","Shimazaki, H.; Ozawa, T.","Tsumoite, BiTe, a new mineral from Tsumo mine, Japan","American Mineralogist","1978","63","","1162","1165","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9000813","3.783","","3.783","","11.195","","90","","90","","120","","138.748","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Nukundamite","- Cu0.848 Fe0.152 S -","- Cu0.848 Fe0.152 S -","- Cu3.392 Fe0.608 S4 -","4","0.333333","","Sugaki, A.; Shima, H.; Kitakaze, A.; Mizota, T.","Hydrothermal synthesis of nukundamite and its crystal structure","American Mineralogist","1981","66","","398","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001316","4.468","","4.468","","20.75","","90","","90","","120","","358.736","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Volynskite","- Ag Bi Te2 -","- Ag Bi Te2 -","- Ag3 Bi3 Te6 -","3","0.25","","Bayliss, P.","Crystal chemistry and crystallography of some minerals in the tetradymite group","American Mineralogist","1991","76","","257","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001317","4.2477","","4.2477","","23.075","","90","","90","","120","","360.562","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Ingodite","- Bi S0.56 Te0.44 -","- Bi S0.56 Te0.44 -","- Bi6 S3.36 Te2.64 -","6","0.5","","Bayliss, P.","Crystal chemistry and crystallography of some minerals in the tetradymite group","American Mineralogist","1991","76","","257","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001586","3.1382","","3.1382","","4.713","","90","","90","","120","","40.197","","","","","","","","400000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite (deuterated)","- D1.998 Mg O2 -","- D1.998 Mg O2 -","- D1.998 Mg O2 -","1","0.0833333","","Parise, J. B.; Leinenweber, K.; Weidner, D. J.; Tan, K.; Von Dreele, R. B.","Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to 9.3 GPa P = 0.4 GPa","American Mineralogist","1994","79","","193","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001587","3.1167","","3.1167","","4.63","","90","","90","","120","","38.949","","","","","","","","1900000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite (deuterated)","- D1.998 Mg O2 -","- D1.998 Mg O2 -","- D1.998 Mg O2 -","1","0.0833333","","Parise, J. B.; Leinenweber, K.; Weidner, D. J.; Tan, K.; Von Dreele, R. B.","Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to 9.3 GPa P = 1.9 GPa","American Mineralogist","1994","79","","193","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001588","3.0728","","3.0728","","4.496","","90","","90","","120","","36.764","","","","","","","","5400000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite (deuterated)","- D1.998 Mg O2 -","- D1.998 Mg O2 -","- D1.998 Mg O2 -","1","0.0833333","","Parise, J. B.; Leinenweber, K.; Weidner, D. J.; Tan, K.; Von Dreele, R. B.","Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to 9.3 GPa P = 5.4 GPa","American Mineralogist","1994","79","","193","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001589","3.0365","","3.0365","","4.403","","90","","90","","120","","35.158","","","","","","","","9300000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite (deuterated)","- D1.998 Mg O2 -","- D1.998 Mg O2 -","- D1.998 Mg O2 -","1","0.0833333","","Parise, J. B.; Leinenweber, K.; Weidner, D. J.; Tan, K.; Von Dreele, R. B.","Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to 9.3 GPa P = 9.3 GPa","American Mineralogist","1994","79","","193","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9002259","3.25919","","3.25919","","4.5765","","90","","90","","120","","42.1","","","","10","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Fe(OH)2","- Fe H1.714 O2 -","- Fe H1.714 O2 -","- Fe H1.714 O2 -","1","0.0833333","","Parise, J. B.; Marshall, W. G.; Smith, R. I.; Lutz, H. D.; Moller, H.","The nuclear and magnetic structure of ""white rust""-Fe(OH0.86D0.14)2 Sample: T = 10 K","American Mineralogist","2000","85","","189","193","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002260","3.26238","","3.26238","","4.5822","","90","","90","","120","","42.235","","","","150","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Fe(OH)2","- Fe H1.726 O2 -","- Fe H1.726 O2 -","- Fe H1.726 O2 -","1","0.0833333","","Parise, J. B.; Marshall, W. G.; Smith, R. I.; Lutz, H. D.; Moller, H.","The nuclear and magnetic structure of ""white rust""-Fe(OH0.86D0.14)2 Sample: T = 150 K","American Mineralogist","2000","85","","189","193","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002261","3.26515","","3.26515","","4.6013","","90","","90","","120","","42.483","","","","300","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Fe(OH)2","- Fe H1.728 O2 -","- Fe H1.728 O2 -","- Fe H1.728 O2 -","1","0.0833333","","Parise, J. B.; Marshall, W. G.; Smith, R. I.; Lutz, H. D.; Moller, H.","The nuclear and magnetic structure of ""white rust""-Fe(OH0.86D0.14)2 Sample: T = 300 K","American Mineralogist","2000","85","","189","193","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002348","3.1264","","3.1264","","4.7315","","90","","90","","120","","40.051","","","","","","","","600000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- Mg O2 -","- Mg O2 -","1","0.0833333","","Nagai, T.; Hattori, T.; Yamanaka, T.","Compression mechanism of brucite: An investigation by the structural refinement under pressure Sample: P = .6 GPa","American Mineralogist","2000","85","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002349","3.109","","3.109","","4.6573","","90","","90","","120","","38.986","","","","","","","","2500000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- Mg O2 -","- Mg O2 -","1","0.0833333","","Nagai, T.; Hattori, T.; Yamanaka, T.","Compression mechanism of brucite: An investigation by the structural refinement under pressure Sample: P = 2.5 GPa","American Mineralogist","2000","85","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002350","3.0763","","3.0763","","4.549","","90","","90","","120","","37.282","","","","","","","","6200000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- Mg O2 -","- Mg O2 -","1","0.0833333","","Nagai, T.; Hattori, T.; Yamanaka, T.","Compression mechanism of brucite: An investigation by the structural refinement under pressure Sample: P = 6.2 GPa","American Mineralogist","2000","85","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002351","3.0533","","3.0533","","4.475","","90","","90","","120","","36.13","","","","","","","","8900000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- Mg O2 -","- Mg O2 -","1","0.0833333","","Nagai, T.; Hattori, T.; Yamanaka, T.","Compression mechanism of brucite: An investigation by the structural refinement under pressure Sample: P = 8.9 GPa","American Mineralogist","2000","85","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002352","3.0114","","3.0114","","4.353","","90","","90","","120","","34.187","","","","","","","","12500000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- Mg O2 -","- Mg O2 -","1","0.0833333","","Nagai, T.; Hattori, T.; Yamanaka, T.","Compression mechanism of brucite: An investigation by the structural refinement under pressure Sample: P = 12.5 GPa","American Mineralogist","2000","85","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002353","3.0003","","3.0003","","4.325","","90","","90","","120","","33.717","","","","","","","","16000000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- Mg O2 -","- Mg O2 -","1","0.0833333","","Nagai, T.; Hattori, T.; Yamanaka, T.","Compression mechanism of brucite: An investigation by the structural refinement under pressure Sample: P = 16.0 GPa","American Mineralogist","2000","85","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002354","2.9838","","2.9838","","4.294","","90","","90","","120","","33.108","","","","","","","","18000000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- Mg O2 -","- Mg O2 -","1","0.0833333","","Nagai, T.; Hattori, T.; Yamanaka, T.","Compression mechanism of brucite: An investigation by the structural refinement under pressure Sample: P = 18.0 GPa","American Mineralogist","2000","85","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002665","5.722","","5.722","","23.026","","90","","90","","120","","652.897","","","","","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","Magnesiohogbomite-2N3S","- Al9 Fe2.89 H Mg1.61 O20 Ti0.5 -","- Al9 Fe2.89 H Mg1.61 O20 Ti0.5 -","- Al18 Fe5.78 H2 Mg3.22 O40 Ti -","2","0.166667","","Hejny, C.; Armbruster, T.","Polysomatism in hogbomite: The crystal structures of 10T, 12H, 14T and 24R polysomes Note: Signs of x,y-coordinates of Fe7/Mg7 changed. Sample: 10T","American Mineralogist","2002","87","","277","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002667","5.7","","5.7","","32.2","","90","","90","","120","","906.017","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","Hogbomite","- Al14 H Mg5 O28 Ti -","- Al14 H Mg5 O28 Ti -","- Al28 H2 Mg10 O56 Ti2 -","2","0.166667","","Hejny, C.; Armbruster, T.","Polysomatism in hogbomite: The crystal structures of 10T, 12H, 14T and 24R polysomes Note: Data represents a model, not experiment. Sample: polytype 14T","American Mineralogist","2002","87","","277","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9004166","13.391","","13.391","","7.139","","90","","90","","120","","1108.65","","","","","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","Pyrosmalite-(Mn)","- Cl1.65 Fe3.7 H6.12 Mn4.48 O23.35 Si5.82 -","- Cl1.65 Fe3.7 H8.35 Mn4.48 O23.35 Si5.82 -","- Cl3.3 Fe7.4 H16.7 Mn8.96 O46.7 Si11.64 -","2","0.166667","","Kato T; Takeuchi Y","The pyrosmalite group of minerals I. Structure refinement of Manganpyrosmalite Sample 1: Iron-rich manganpyrosmalite, Kyurazawa mine, Japan","The Canadian Mineralogist","1983","21","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9004167","13.422","","13.422","","7.165","","90","","90","","120","","1117.84","","","","","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","Pyrosmalite-(Mn)","- Cl1.47 Fe1.6 H8.5 Mn6 O23.53 Si6 -","- Cl1.47 Fe1.6 H8.53 Mn6 O23.53 Si6 -","- Cl2.94 Fe3.2 H17.06 Mn12 O47.06 Si12 -","2","0.166667","","Kato T; Takeuchi Y","The pyrosmalite group of minerals I. Structure refinement of Manganpyrosmalite Note: sample 2 Note: z-coordinate for AlM4 changed Locality: Kyurazawa mine, Japan","The Canadian Mineralogist","1983","21","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9004668","14.377","","14.377","","4.8786","","90","","90","","120","","873.298","","","","","","","","","","","","","10","P -3 m 1","-P 3 2""","164","","","Telyushenkoite","- Al2.04 Be2 Cs0.74 F2 K0.14 Na6.1 O39 Rb0.02 Si15.66 Zn0.3 -","- Al2.04 Be2 Cs0.74 F2 K0.14 Na6.1 O39 Rb0.02 Si15.66 Zn0.3 -","- Al2.04 Be2 Cs0.74 F2 K0.14 Na6.1 O39 Rb0.02 Si15.66 Zn0.3 -","1","0.0833333","","Sokolova, E. V.; Huminicki, D. M. C.; Hawthorne, F. C.; Agakhanov, A. A.; Pautov, L. A.; Grew, E. S.","The crystal chemistry of telyushenkoite and leifite, A Na6[Be2Al3Si15O39F2], A = Cs, Na","The Canadian Mineralogist","2002","40","","183","192","10.2113/gscanmin.40.1.183","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004669","14.3608","","14.3608","","4.857","","90","","90","","120","","867.473","","","","","","","","","","","","","11","P -3 m 1","-P 3 2""","164","","","Leifite","- Al1.98 Be2 Cs0.05 F2 H2 K0.1 Na6.57 O39.63 Rb0.11 Si15.84 Zn0.18 -","- Al1.98 Be2 Cs0.05 F2 H1.26 K0.1 Na6.57 O39.63 Rb0.11 Si15.84 Zn0.18 -","- Al1.98 Be2 Cs0.05 F2 H1.26 K0.1 Na6.57 O39.63 Rb0.11 Si15.84 Zn0.18 -","1","0.0833333","","Sokolova, E. V.; Huminicki, D. M. C.; Hawthorne, F. C.; Agakhanov, A. A.; Pautov, L. A.; Grew, E. S.","The crystal chemistry of telyushenkoite and leifite, A Na6[Be2Al3Si15O39F2], A = Cs, Na","The Canadian Mineralogist","2002","40","","183","192","10.2113/gscanmin.40.1.183","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9004965","5.5606","","5.5606","","7.045","","90","","90","","120","","188.649","","","","","","","","","","","","Lovozero alkaline massif, Kola Peninsula, Russia","10","P -3 m 1","-P 3 2""","164","","","Olgite","- Ba0.76 Ca0.04 Ce0.02 K0.04 La0.1 Mn0.03 Na2.12 O8 P2 Sr0.88 -","- Ba0.76 Ca0.04 Ce0.02 K0.04 La0.1 Mn0.03 Na2.12 O8 P2 Sr0.88 -","- Ba0.76 Ca0.04 Ce0.02 K0.04 La0.1 Mn0.03 Na2.12 O8 P2 Sr0.88 -","1","0.0833333","","Sokolova, E.; Hawthorne, F. C.; Khomyakov, A. P.","Refinement of the crystal structure and revision of the chemical formula of olgite: (Ba,Sr) (Na,Sr,REE)2 Na [PO4]2 Sample: I","The Canadian Mineralogist","2005","43","","1521","1526","10.2113/gscanmin.43.5.1521","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004966","5.5492","","5.5492","","7.0286","","90","","90","","120","","187.439","","","","","","","","","","","","Lovozero alkaline massif, Kola Peninsula, Russia","8","P -3 m 1","-P 3 2""","164","","","Olgite","- Ba0.88 Ca0.04 Ce0.06 La0.04 Na2.2 O8 P2 Sr0.78 -","- Ba0.88 Ca0.04 Ce0.06 La0.04 Na2.2 O8 P2 Sr0.78 -","- Ba0.88 Ca0.04 Ce0.06 La0.04 Na2.2 O8 P2 Sr0.78 -","1","0.0833333","","Sokolova, E.; Hawthorne, F. C.; Khomyakov, A. P.","Refinement of the crystal structure and revision of the chemical formula of olgite: (Ba,Sr) (Na,Sr,REE)2 Na [PO4]2 Sample: III","The Canadian Mineralogist","2005","43","","1521","1526","10.2113/gscanmin.43.5.1521","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005469","4.264","","4.264","","23.25","","90","","90","","120","","366.09","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","Telluronevskite","- Bi2.94 S0.32 Se1.73 Te1.01 -","- Bi2.94 S0.32 Se1.73 Te1.01 -","- Bi5.88 S0.64 Se3.46 Te2.02 -","2","0.166667","","Ridkosil, T.; Skala, R.; Johan, Z.; Srein, V.","Telluronevskite, Bi3TeSe2, a new mineral","European Journal of Mineralogy","2001","13","","177","185","10.1127/0935-1221/01/0013-0177","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006330","3.14979","","3.14979","","4.7702","","90","","90","","120","","40.986","","","","","","","","100","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H2 Mg O2 -","1","0.0833333","","Catti, M.; Ferraris, G.; Hull, S.; Pavese, A.","Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 0.0001 GPa","Physics and Chemistry of Minerals","1995","22","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006331","3.0698","","3.0698","","4.429","","90","","90","","120","","36.146","","","","","","","","7800000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H2 Mg O2 -","1","0.0833333","","Catti, M.; Ferraris, G.; Hull, S.; Pavese, A.","Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 7.8 GPa","Physics and Chemistry of Minerals","1995","22","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006332","3.0467","","3.0467","","4.3554","","90","","90","","120","","35.012","","","","","","","","10900000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H2 Mg O2 -","1","0.0833333","","Catti, M.; Ferraris, G.; Hull, S.; Pavese, A.","Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 10.9 GPa","Physics and Chemistry of Minerals","1995","22","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006333","3.0464","","3.0464","","4.3553","","90","","90","","120","","35.004","","","","","","","","10900000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- H1.99998 Mg O2 -","- H1.99998 Mg O2 -","1","0.0833333","","Catti, M.; Ferraris, G.; Hull, S.; Pavese, A.","Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 10.9 GPa, split H site","Physics and Chemistry of Minerals","1995","22","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006530","3.318","","3.318","","4.717","","90","","90","","120","","44.973","","","","","","","","0","","","","","3","P -3 m 1","-P 3 2""","164","","","Pyrochroite (deuterated)","- D2 Mn O2 -","- D1.99998 Mn O2 -","- D1.99998 Mn O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.0 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006531","3.305","","3.305","","4.675","","90","","90","","120","","44.224","","","","","","","","700000","","","","","3","P -3 m 1","-P 3 2""","164","","","Pyrochroite (deuterated)","- D2 Mn O2 -","- D1.99998 Mn O2 -","- D1.99998 Mn O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.7 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006532","3.281","","3.281","","4.579","","90","","90","","120","","42.689","","","","","","","","2400000","","","","","3","P -3 m 1","-P 3 2""","164","","","Pyrochroite (deuterated)","- D2 Mn O2 -","- D1.99998 Mn O2 -","- D1.99998 Mn O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 2.4 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006533","3.25","","3.25","","4.497","","90","","90","","120","","41.136","","","","","","","","4600000","","","","","3","P -3 m 1","-P 3 2""","164","","","Pyrochroite (deuterated)","- D2 Mn O2 -","- D1.99998 Mn O2 -","- D1.99998 Mn O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 4.6 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006534","3.208","","3.208","","4.416","","90","","90","","120","","39.358","","","","","","","","7800000","","","","","3","P -3 m 1","-P 3 2""","164","","","Pyrochroite (deuterated)","- D2 Mn O2 -","- D1.99998 Mn O2 -","- D1.99998 Mn O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 7.8 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006535","3.1834","","3.1834","","4.6445","","90","","90","","120","","40.762","","","","","","","","0","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co D2 O2 -","- Co D1.99998 O2 -","- Co D1.99998 O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.0 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006536","3.167","","3.167","","4.6","","90","","90","","120","","39.956","","","","","","","","500000","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co D2 O2 -","- Co D1.99998 O2 -","- Co D1.99998 O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.5 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006537","3.139","","3.139","","4.483","","90","","90","","120","","38.254","","","","","","","","3300000","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co D2 O2 -","- Co D1.99998 O2 -","- Co D1.99998 O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 3.3 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006538","3.109","","3.109","","4.414","","90","","90","","120","","36.949","","","","","","","","5600000","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co D2 O2 -","- Co D1.99998 O2 -","- Co D1.99998 O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 5.6 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006539","3.084","","3.084","","4.363","","90","","90","","120","","35.937","","","","","","","","7500000","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co D2 O2 -","- Co D1.99998 O2 -","- Co D1.99998 O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 7.5 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006540","3.059","","3.059","","4.283","","90","","90","","120","","34.709","","","","","","","","9500000","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co D2 O2 -","- Co D1.99998 O2 -","- Co D1.99998 O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 9.5 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006832","3.5682","","3.5682","","4.8625","","90","","90","","120","","53.615","","","","","","","","500000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.","Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 0.5 GPa","Physics and Chemistry of Minerals","2000","27","","462","466","10.1007/s002690000084","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006833","3.5338","","3.5338","","4.712","","90","","90","","120","","50.959","","","","","","","","2400000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.","Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 2.4 GPa","Physics and Chemistry of Minerals","2000","27","","462","466","10.1007/s002690000084","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006834","3.5104","","3.5104","","4.6294","","90","","90","","120","","49.405","","","","","","","","4300000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.","Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 4.3 GPa","Physics and Chemistry of Minerals","2000","27","","462","466","10.1007/s002690000084","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006835","3.4806","","3.4806","","4.5352","","90","","90","","120","","47.581","","","","","","","","6300000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.","Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 6.3 GPa","Physics and Chemistry of Minerals","2000","27","","462","466","10.1007/s002690000084","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006836","3.4575","","3.4575","","4.451","","90","","90","","120","","46.08","","","","","","","","8100000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.","Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 8.1 GPa","Physics and Chemistry of Minerals","2000","27","","462","466","10.1007/s002690000084","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006837","3.442","","3.442","","4.4053","","90","","90","","120","","45.199","","","","","","","","9700000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.","Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 9.7 GPa","Physics and Chemistry of Minerals","2000","27","","462","466","10.1007/s002690000084","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007438","3.464","","3.464","","5.763","","90","","90","","120","","59.887","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Cr0.875 S -","- Cr0.875 S -","- Cr1.75 S2 -","2","0.166667","","Jellinek, F.","The structures of the chromium sulphides","Acta Crystallographica","1957","10","","620","628","10.1107/S0365110X57002200","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007639","5.6801","","5.6801","","7.309","","90","","90","","120","","204.221","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","Aphthitalite","- K3 Na O8 S2 -","- K3 Na O8 S2 -","- K3 Na O8 S2 -","1","0.0833333","","Okada, K.; Ossaka, J.","Structures of potassium sodium sulphate and tripotassium sodium disulphate","Acta Crystallographica, Section B","1980","36","","919","921","10.1107/S0567740880004852","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007752","4.5554","","4.5554","","5.5415","","90","","90","","120","","99.589","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2.26 Nb0.8 Ti2.94 -","- Al2.26 Nb0.8 Ti2.94 -","- Al2.26 Nb0.8 Ti2.94 -","1","0.0833333","","Shoemaker, C. B.; Shoemaker, D. P.; Bendersky, L. A.","Structure of omega-Ti3Al2.25Nb.75","Acta Crystallographica, Section C","1990","46","","374","377","10.1107/S0108270189008504","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007842","5.858","","5.858","","7.523","","90","","90","","120","","223.574","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Cr2 K3 Na O8 -","- Cr2 K3 Na O8 -","- Cr2 K3 Na O8 -","1","0.0833333","","Madariaga, G.; Breczewski, T.","Structure and phase transition of K3Na(CrO4)2","Acta Crystallographica, Section C","1990","46","","2019","2021","10.1107/S0108270190003572","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007935","5.551","","5.551","","8.037","","90","","90","","120","","214.47","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Al Cs Mo2 O8 -","- Al Cs Mo2 O8 -","- Al Cs Mo2 O8 -","1","0.0833333","","Tomaszewski, P. E.; Pietraszko, A.; Maczka, M.; Hanuza, J.","CsAl(MoO4)2","Acta Crystallographica, Section E","2002","58","","i119","i120","10.1107/S1600536802020950","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008033","5.76","","5.76","","4.77","","90","","90","","120","","137.055","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- F6 N2 Si -","- F6 H8 N2 Si -","- F6 H8 N2 Si -","1","0.0833333","","Gossner, B.; Kraus, O.","Das kristallgitter von ammoniumhexafluorosilikat (NH4)2SiF6","Zeitschrift fur Kristallographie","1934","88","","223","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009097","4.48","","4.48","","6.96","","90","","90","","120","","120.975","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ca I2 -","- Ca I2 -","- Ca I2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009098","3.5844","","3.5844","","4.8962","","90","","90","","120","","54.478","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009099","3.68","","3.68","","6.12","","90","","90","","120","","71.776","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Br2 Co -","- Br2 Co -","- Br2 Co -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009100","3.96","","3.96","","6.65","","90","","90","","120","","90.311","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Co I2 -","- Co I2 -","- Co I2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009101","3.173","","3.173","","4.64","","90","","90","","120","","40.457","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co H2 O2 -","- Co H2 O2 -","- Co H2 O2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009102","3.74","","3.74","","6.17","","90","","90","","120","","74.741","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Br2 Fe -","- Br2 Fe -","- Br2 Fe -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009103","4.04","","4.04","","6.75","","90","","90","","120","","95.411","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Fe I2 -","- Fe I2 -","- Fe I2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009104","3.258","","3.258","","4.605","","90","","90","","120","","42.331","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Amakinite","- Fe H2 O2 -","- Fe H2 O2 -","- Fe H2 O2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009105","4.13","","4.13","","6.79","","90","","90","","120","","100.3","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ge I2 -","- Ge I2 -","- Ge I2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009106","3.93","","3.93","","5.393","","90","","90","","120","","72.135","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Shuangfengite","- Ir Te2 -","- Ir Te2 -","- Ir Te2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009107","3.81","","3.81","","6.26","","90","","90","","120","","78.696","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Br2 Mg -","- Br2 Mg -","- Br2 Mg -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009108","4.14","","4.14","","6.88","","90","","90","","120","","102.122","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- I2 Mg -","- I2 Mg -","- I2 Mg -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009109","3.82","","3.82","","6.19","","90","","90","","120","","78.225","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Br2 Mn -","- Br2 Mn -","- Br2 Mn -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009110","4.16","","4.16","","6.82","","90","","90","","120","","102.212","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- I2 Mn -","- I2 Mn -","- I2 Mn -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009111","3.34","","3.34","","4.68","","90","","90","","120","","45.214","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Pyrochroite","- H2 Mn O2 -","- H2 Mn O2 -","- H2 Mn O2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009112","3.117","","3.117","","4.595","","90","","90","","120","","38.662","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Theophrastite","- H2 Ni O2 -","- H2 Ni O2 -","- H2 Ni O2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009113","3.861","","3.861","","5.297","","90","","90","","120","","68.385","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Melonite","- Ni Te2 -","- Ni Te2 -","- Ni Te2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009114","4.555","","4.555","","6.977","","90","","90","","120","","125.365","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- I2 Pb -","- I2 Pb -","- I2 Pb -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009115","4.0365","","4.0365","","5.1262","","90","","90","","120","","72.333","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Merenskyite","- Pd Te2 -","- Pd Te2 -","- Pd Te2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009116","4.01","","4.01","","5.201","","90","","90","","120","","72.428","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Moncheite","- Pt Te2 -","- Pt Te2 -","- Pt Te2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009117","3.724","","3.724","","5.062","","90","","90","","120","","60.796","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Sudovikovite","- Pt Se2 -","- Pt Se2 -","- Pt Se2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009118","3.92","","3.92","","5.41","","90","","90","","120","","71.995","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Rh Te2 -","- Rh Te2 -","- Rh Te2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009119","4.28","","4.28","","6.71","","90","","90","","120","","106.449","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Si Te2 -","- Si Te2 -","- Si Te2 -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009120","3.639","","3.639","","5.868","","90","","90","","120","","67.295","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Berndtite-2T","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009121","3.561","","3.561","","5.875","","90","","90","","120","","64.518","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Cl2 Ti -","- Cl2 Ti -","- Cl2 Ti -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009122","4.25","","4.25","","6.54","","90","","90","","120","","102.302","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- I2 Zn -","- I2 Zn -","- I2 Zn -","1","0.0833333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9010619","7.4805","","7.4805","","11.8836","","90","","90","","120","","575.89","","","","330","","","","","","","","Eagle mine, Colorado, USA","5","P -3 m 1","-P 3 2""","164","","","Antimonpearceite","- Ag12.96 As0.154 Cu3.04 S11 Sb1.846 -","- Ag12.96 As0.154 Cu3.04 S11 Sb1.846 -","- Ag12.96 As0.154 Cu3.04 S11 Sb1.846 -","1","0.0833333","","Bindi, L.; Evain, M.; Menchetti, S.","Complex twinning, polytypism and disorder phenomena in the crystal structures of antimonpearceite and arsenpolybasite Locality: Eagle mine, Colorado, USA Sample: T = 330 K","The Canadian Mineralogist","2007","45","","321","333","10.2113/gscanmin.45.2.321","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010672","6.0818","","6.0818","","7.1793","","90","","90","","120","","229.973","","","","","","","","","","","","Blue Cap mine, San Juan County, Utah","5","P -3 m 1","-P 3 2""","164","","","Martyite","- Co0.15 H6 O11 V2 Zn2.64 -","- Co0.15 H6.00002 O11 V2 Zn2.64 -","- Co0.15 H6.00002 O11 V2 Zn2.64 -","1","0.0833333","","Kampf, A. R.; Steele, I. M.","Martyite, a new mineral species related to volborthite: Description and crystal structure Locality: Blue Cap mine, San Juan County, Utah","The Canadian Mineralogist","2008","46","","687","692","10.3749/canmin.46.3.687","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010804","4.277","","4.277","","86.93","","90","","90","","120","","1377.14","","","","","","","","","","","","Vihorlat Mountains, eastern Slovakia","4","P -3 m 1","-P 3 2""","164","","","Vihorlatite","- Bi21.68 S1.7 Se15.3 Te6.32 -","- Bi21.68 S1.7 Se15.3 Te6.32 -","- Bi21.68 S1.7 Se15.3 Te6.32 -","1","0.0833333","","Skala, R.; Ondrus, P.; Veselovky, F.; Taborsky, Z.; Duda, R.","Vihorlatite, Bi24Se17Te4, a new mineral of the tetradymite group from Vihorlat Mts, Slovakia Locality: Vihorlat Mountains, eastern Slovakia","European Journal of Mineralogy","2007","19","","255","265","10.1127/0935-1221/2007/0019-1715","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010899","3.5717","","3.57","","4.8743","","90","","90","","120","","53.825","","","","","","","","70000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite (deuterated)","- Ca D2 O2 -","- Ca D1.99998 O2 -","- Ca D1.99998 O2 -","1","0.0833333","","Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.","In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = .07 GPa","Physics and Chemistry of Minerals","2007","34","","223","232","10.1007/s00269-007-0141-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010900","3.5692","","3.5692","","4.8758","","90","","90","","120","","53.792","","","","","","","","150000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite (deuterated)","- Ca D2 O2 -","- Ca D1.99998 O2 -","- Ca D1.99998 O2 -","1","0.0833333","","Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.","In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = .15 GPa","Physics and Chemistry of Minerals","2007","34","","223","232","10.1007/s00269-007-0141-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010901","3.5592","","3.5592","","4.8155","","90","","90","","120","","52.83","","","","","","","","780000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite (deuterated)","- Ca D2 O2 -","- Ca D1.99998 O2 -","- Ca D1.99998 O2 -","1","0.0833333","","Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.","In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = .78 GPa","Physics and Chemistry of Minerals","2007","34","","223","232","10.1007/s00269-007-0141-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010902","3.5462","","3.5462","","4.7428","","90","","90","","120","","51.653","","","","","","","","1610000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite (deuterated)","- Ca D2 O2 -","- Ca D1.99998 O2 -","- Ca D1.99998 O2 -","1","0.0833333","","Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.","In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 1.61 GPa","Physics and Chemistry of Minerals","2007","34","","223","232","10.1007/s00269-007-0141-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010903","3.5384","","3.5384","","4.7084","","90","","90","","120","","51.053","","","","","","","","2080000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite (deuterated)","- Ca D2 O2 -","- Ca D1.99998 O2 -","- Ca D1.99998 O2 -","1","0.0833333","","Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.","In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 2.08 GPa","Physics and Chemistry of Minerals","2007","34","","223","232","10.1007/s00269-007-0141-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010904","3.5341","","3.5341","","4.6861","","90","","90","","120","","50.687","","","","","","","","2350000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite (deuterated)","- Ca D2 O2 -","- Ca D1.99998 O2 -","- Ca D1.99998 O2 -","1","0.0833333","","Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.","In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 2.35 GPa","Physics and Chemistry of Minerals","2007","34","","223","232","10.1007/s00269-007-0141-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010905","3.5317","","3.5317","","4.6775","","90","","90","","120","","50.526","","","","","","","","2440000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite (deuterated)","- Ca D2 O2 -","- Ca D1.99998 O2 -","- Ca D1.99998 O2 -","1","0.0833333","","Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.","In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 2.44 GPa","Physics and Chemistry of Minerals","2007","34","","223","232","10.1007/s00269-007-0141-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010906","3.5175","","3.5175","","4.6186","","90","","90","","120","","49.489","","","","","","","","3400000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite (deuterated)","- Ca D2 O2 -","- Ca D1.99998 O2 -","- Ca D1.99998 O2 -","1","0.0833333","","Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.","In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 3.40 GPa","Physics and Chemistry of Minerals","2007","34","","223","232","10.1007/s00269-007-0141-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010907","3.5002","","3.5002","","4.5646","","90","","90","","120","","48.431","","","","","","","","4530000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite (deuterated)","- Ca D2 O2 -","- Ca D1.99998 O2 -","- Ca D1.99998 O2 -","1","0.0833333","","Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.","In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 4.53 GPa","Physics and Chemistry of Minerals","2007","34","","223","232","10.1007/s00269-007-0141-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011023","4.18","","4.18","","19.67","","90","","90","","120","","297.637","","","","","","","","","","","","Synthetic","3","P -3 m 1","-P 3 2""","164","","","Bohdanowiczite","- Ag Bi Se2 -","- Ag Bi Se2 -","- Ag3 Bi3 Se6 -","3","0.25","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011024","4.07","","4.07","","19.06","","90","","90","","120","","273.428","","","","","","","","","","after annealing at 152 deg C for 15 days","","Synthetic","3","P -3 m 1","-P 3 2""","164","","","Matildite","- Ag Bi S2 -","- Ag Bi S2 -","- Ag3 Bi3 S6 -","3","0.25","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011204","4.423","","4.423","","24.002","","90","","90","","120","","406.642","","","","","","","","","","","","Synthetic","2","P -3 m 1","-P 3 2""","164","","","Tsumoite","- Bi Te -","- Bi Te -","- Bi6 Te6 -","6","0.5","","Yamana, K.; Kihara, K.; Matsumoto, T.","Bismuth tellurides: BiTe and Bi4Te3 Note: anisoB's from ICSD","Acta Crystallographica, Section B","1979","35","","147","149","10.1107/S0567740879002788","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011286","4.1","","4.1","","5.021","","90","","90","","120","","73.095","","","","","","","","3720000","","","","Synthetic","2","P -3 m 1","-P 3 2""","164","","","Calaverite","- Au Te2 -","- Au Te2 -","- Au Te2 -","1","0.0833333","","Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.","High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 3.72 GPa","Acta Crystallographica, Section B","1993","49","1","6","11","10.1107/S0108768192007286","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011287","4.078","","4.078","","5","","90","","90","","120","","72.01","","","","","","","","5130000","","","","Synthetic","2","P -3 m 1","-P 3 2""","164","","","Calaverite","- Au Te2 -","- Au Te2 -","- Au Te2 -","1","0.0833333","","Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.","High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 5.13 GPa","Acta Crystallographica, Section B","1993","49","1","6","11","10.1107/S0108768192007286","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011308","7.389","","7.389","","11.816","","90","","90","","120","","558.692","","","","15","","","","","","","","Clara mine, Black Forest, Germany","5","P -3 m 1","-P 3 2""","164","","","Pearceite","- Ag12.226 As1.192 Cu3.772 S11 Sb0.808 -","- Ag12.2262 As1.192 Cu3.772 S11 Sb0.808 -","- Ag12.2262 As1.192 Cu3.772 S11 Sb0.808 -","1","0.0833333","","Bindi, L.; Evain, M.; Menchetti, S.","Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 15 K","Acta Crystallographica, Section B","2006","62","2","212","219","10.1107/S010876810600108X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011309","7.3721","","7.3721","","11.8104","","90","","90","","120","","555.876","","","","120","","","","","","","","Clara mine, Black Forest, Germany","5","P -3 m 1","-P 3 2""","164","","","Pearceite","- Ag13.646 As1.179 Cu2.966 S11 Sb0.821 -","- Ag13.0404 As1.1792 Cu2.9656 S11 Sb0.8208 -","- Ag13.0404 As1.1792 Cu2.9656 S11 Sb0.8208 -","1","0.0833333","","Bindi, L.; Evain, M.; Menchetti, S.","Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 120 K","Acta Crystallographica, Section B","2006","62","2","212","219","10.1107/S010876810600108X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011310","7.3876","","7.3876","","11.8882","","90","","90","","120","","561.893","","","","300","","","","","","","","Clara mine, Black Forest, Germany","5","P -3 m 1","-P 3 2""","164","","","Pearceite","- Ag13.032 As1.18 Cu2.968 S11 Sb0.82 -","- Ag13.032 As1.18 Cu2.968 S11 Sb0.82 -","- Ag13.032 As1.18 Cu2.968 S11 Sb0.82 -","1","0.0833333","","Bindi, L.; Evain, M.; Menchetti, S.","Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 300 K","Acta Crystallographica, Section B","2006","62","2","212","219","10.1107/S010876810600108X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011314","3.12","","3.12","","4.61","","90","","90","","120","","38.863","","","","","","","","","","","","Synthetic","3","P -3 m 1","-P 3 2""","164","","","Theophrastite","- H2 Ni O2 -","- H2 Ni O2 -","- H2 Ni O2 -","1","0.0833333","","Ramesh, T. N.; Kamath, P. V.; Shivakumara, C.","Classification of stacking faults and their stepwise elemination during the disorder -> order transformation of nickel hydroxide","Acta Crystallographica, Section B","2006","62","4","530","536","10.1107/S0108768106013188","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011317","7.595","","7.595","","12.0731","","90","","90","","120","","603.122","","","","300","","","","","","","","De Lamar mine, Idaho, USA","6","P -3 m 1","-P 3 2""","164","","","Antimonpearceite","- Ag16.08 As0.34 Cu1.84 S8.34 Sb1.66 Se2.66 -","- Ag14.58 As0.34 Cu1.42 S8.34 Sb1.66 Se2.66 -","- Ag14.58 As0.34 Cu1.42 S8.34 Sb1.66 Se2.66 -","1","0.0833333","LC5047","Evain, M.; Bindi, L.; Menchetti, S.","Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)~6~(Sb,As)~2~(S,Se)~7~][Ag~9~Cu(S,Se)~2~Se~2~]","Acta Crystallographica Section B","2006","62","5","768","774","10.1107/S0108768106022798","","","0.71069","MoKα","","0.0768","0.0489","","","0.0575","0.0596","","","","","","1.8","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011321","6.2733","","6.2733","","5.7472","","90","","90","","120","","195.875","","","","","","","","","","","","Haydee mine, Salar Grande, Atacama desert, Chile","5","P -3 m 1","-P 3 2""","164","","","Haydeeite","- Cl2 Cu3 H6 Mg O6 -","- Cl2 Cu3 H6 Mg O6 -","- Cl2 Cu3 H6 Mg O6 -","1","0.0833333","","Malcherek, T.; Schluter, J.","Cu3MgCl2(OH)6 and the bond-valence parameters of the OH-Cl bond","Acta Crystallographica, Section B","2007","63","1","157","160","10.1107/S0108768106053870","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011420","3.052","","3.052","","10.88","","90","","90","","120","","87.766","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","Koenenite","- Al0.364 H2 Mg0.636 O2 -","- Al0.3636 Mg0.6364 O2 -","- Al0.3636 Mg0.6364 O2 -","1","0.0833333","","Allmann, R.; Lohse, H. N.; Hellner, E.","Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei inkommensurablen teilgittern Note: one of two substructures in koenenite","Zeitschrift fur Kristallographie","1968","126","","7","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011515","5.309","","5.309","","7.237","","90","","90","","120","","176.65","","","","","","","","","","","","Synthetic","5","P -3 m 1","-P 3 2""","164","","","","- Ca Mg Na2 O8 P2 -","- Ca Mg Na2 O8 P2 -","- Ca Mg Na2 O8 P2 -","1","0.0833333","","Alkemper, J.; Fuess, H.","The crystal structures of NaMgPO~4~, Na~2~CaMg(PO~4~)~2~ and Na~18~Ca~13~Mg~5~(PO~4~)~18~: new examples for glaserite related structures Note: known as the beta polymorph of Na~2~CaMg(PO~4~)~2~","Zeitschrift f""ur Kristallographie","1998","213","5","282","287","10.1524/zkri.1998.213.5.282","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:44",""
"9011829","7.021","","7.021","","20.218","","90","","90","","120","","863.111","","","","","","","","","","","","Emmons mine, Greenwood, Maine","7","P -3 m 1","-P 3 2""","164","","","Perhamite","- Al7.7 Ca2.7 H12.68 O45.862 P4 Si3 Sr0.3 -","- Al7.7 Ca2.7 H10 O39.862 P4 Si3 Sr0.3 -","- Al7.7 Ca2.7 H10 O39.862 P4 Si3 Sr0.3 -","1","0.0833333","","Mills, S.; Mumme, G.; Grey, I.; Bordet, P.","The crystal structure of perhamite Note: H positions unknown","Mineralogical Magazine","2006","70","","201","209","10.1180/0026461067020324","","","","","","","","","","","","","","","","","","","","","has coordinates","283912","2023-05-21","08:41:26",""
"9011830","6.3","","6.3","","5.733","","90","","90","","120","","197.058","","","","","","","","","","","","Lavrion, Greece","5","P -3 m 1","-P 3 2""","164","","","Kapellasite","- Cl2.18 Cu3 H5.82 O5.82 Zn -","- Cl2.18 Cu3 H5.82 O5.82 Zn -","- Cl2.18 Cu3 H5.82 O5.82 Zn -","1","0.0833333","","Krause, W.; Bernhardt, H. J.; Braithwaite, R. S. W.; Kolitsch, U.; Pritchard, R.","Kapellasite, Cu3Zn(OH)6Cl2, a new mineral from Lavrion, Greece, and its crystal structure","Mineralogical Magazine","2006","70","","329","340","10.1180/0026461067030336","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011842","4.5","","4.5","","17.6","","90","","90","","120","","308.651","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Kochkarite","- Bi3 Pb0.75 Te5.25 -","- Bi3 Pb0.75 Te5.25 -","- Bi3 Pb0.75 Te5.25 -","1","0.0833333","","Talybov, A. G.; Vainshtein, B. K.","An electron diffraction study of the structure of PbBi4Te7 Loality: synthetic","Soviet Physics Crystallography","1962","6","","432","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011844","4.44","","4.44","","71.7","","90","","90","","120","","1224.1","","","","","","","","","","","","Synthetic","3","P -3 m 1","-P 3 2""","164","","","Kochkarite","- Bi3 Pb0.75 Te5.25 -","- Bi3 Pb0.75 Te5.25 -","- Bi12 Pb3 Te21 -","4","0.333333","","Talybov, A. G.; Vainshtein, B. K.","An electron diffraction study of the second superlattice in PbBi4Te7","Soviet Physics Crystallography","1962","7","","32","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012066","4.212","","4.212","","22.942","","90","","90","","120","","352.483","","","","","","","","","","","","Synthetic","2","P -3 m 1","-P 3 2""","164","","","Nevskite","- Bi0.755 Se0.745 -","- Bi0.755 Se0.745 -","- Bi6.04 Se5.96 -","8","0.666667","","Gaudin, E.; Jobic, S.; Evain, M.; Brec, R.; Rouxel, J.","Charge balance in some BixSey phases through atomic structure determination and band structure calculations","Materials Research Bulletin","1995","30","","549","561","10.1016/0025-5408(95)00030-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012469","5.784","","5.784","","4.796","","90","","90","","120","","138.953","","","","","","","","","","","","Synthetic","3","P -3 m 1","-P 3 2""","164","","","Bararite","- F6 N2 Si -","- F6 N2 Si -","- F6 N2 Si -","1","0.0833333","","Schlemper, E. O.; Hamilton, W. C.","On the structure of trigonal ammonium fluorosilicate","Journal of Chemical Physics","1966","45","","408","409","10.1063/1.2716548","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9013428","7.3277","","7.3277","","11.7752","","90","","90","","120","","547.563","","","","","","","","","","","","Premier mine, Stewart, British Columbia, Canada","5","P -3 m 1","-P 3 2""","164","","","Cupropolybasite","- Ag11.706 As0.618 Cu4.294 S11 Sb1.382 -","- Ag11.706 As0.618 Cu4.294 S11 Sb1.382 -","- Ag11.706 As0.618 Cu4.294 S11 Sb1.382 -","1","0.0833333","","Bindi, L.; Evain, M.; Spry, P. G.; Tait, K. T.; Menchetti, S.","Structural role of copper in the minerals of the pearceite-polybasite group: the case of the new minerals cupropearceite and cupropolybasite","Mineralogical Magazine","2007","71","","641","650","10.1180/minmag.2007.071.6.641","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013992","7.2567","","7.2567","","11.8193","","90","","90","","120","","539.015","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","Cupropearceite","- Ag10.332 As1.602 Cu5.668 S11 Sb0.398 -","- Ag10.332 As1.602 Cu5.668 S11 Sb0.398 -","- Ag10.332 As1.602 Cu5.668 S11 Sb0.398 -","1","0.0833333","","Bindi, L.; Pekov, I. V.","Crystal chemistry of extremely Cu-rich cupropearceite from the Sarbay mine, Northern Kazakhstan Location: Sarbay mine, Northern Kazakhstan","Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva","2009","138","","44","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014068","5.75","","5.75","","14.459","","90","","90","","120","","414.004","","","","","","","","","","","","Wigwam deposit of Southeastern British Columbia, Canada","9","P -3 m 1","-P 3 2""","164","","","Greenwoodite","- Al0.03 Ba0.6 Fe0.98 H0.4 Mg0.02 O11.4 Si0.86 V5.305 Zn0.11 -","- Al0.03 Ba0.6 Fe0.98 H0.4 Mg0.02 O11.4 Si0.86 V5.305 Zn0.11 -","- Al0.06 Ba1.2 Fe1.96 H0.8 Mg0.04 O22.8 Si1.72 V10.61 Zn0.22 -","2","0.166667","","Bartholomew, P. R.; Mancini, F.; Harlow, G. E.; Deifel, N.; Cahill, C.; Bernhardt, H. J.","Greenwoodite, a new nesosilicate from British Columbia with a Ba-VOH coupled substitution and tetrahedral Fe: description and structure","The Canadian Mineralogist","2012","50","","1233","1242","10.3749/canmin.50.5.1233","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014152","14.3446","","14.3446","","4.8455","","90","","90","","120","","863.468","","","","","","","","","","","","Vesle Aroya, Langesundsfjord, Norway","7","P -3 m 1","-P 3 2""","164","","","Leifite","- Al2.66 Be2 F2 K0.46 Na6.2 O39 Si15.34 -","- Al2.6598 Be2 F2 K0.46 Na6.2 O39 Si15.3402 -","- Al2.6598 Be2 F2 K0.46 Na6.2 O39 Si15.3402 -","1","0.0833333","","Armstrong, J. A.; Friis, H.; Lieb, A.; Finch, A. A.; Weller, M. T.","Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals","American Mineralogist","2010","95","","519","526","10.2138/am.2010.3276","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014284","3.772","","3.772","","6.223","","90","","90","","120","","76.679","","","","","","","","","","","","Synthetic","2","P -3 m 1","-P 3 2""","164","","","","- Br2 Fe -","- Br2 Fe -","- Br2 Fe -","1","0.0833333","","Wilkinson, M. K.; Cable, J. W.; Wollan, E. O.; Koehler, W. C.","Neutron diffraction investigations of the magnetic ordering in FeBr2, CoBr2, FeCl2, and CoCl2","Physical Review","1959","113","","497","507","10.1103/PhysRev.113.497","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014528","4.052","","4.052","","5.085","","90","","90","","120","","72.304","","","","","","","","","","","","Synthetic","2","P -3 m 1","-P 3 2""","164","","","","- Fe2 Si -","- Fe2 Si -","- Fe4 Si2 -","2","0.166667","","Errandonea, D.; Santamaría-Pérez D; Vegas, A.; Nuss, J.; Jansen, M.; Rodríguez-Hernández P; Muñoz, A.","Structural stability of Fe5Si3 and Ni2Si studied by high-pressure X-ray diffraction and ab initio total-energy calculations","Physical Review B - Condensed Matter","2008","77","","094113","1-094113-12","10.1103/PhysRevB.77.094113","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014572","4.051","","4.051","","5.1382","","90","","90","","120","","73.024","","","","","","","","","","","","Zlatoja Hora (Gold Hill) deposit, Middle Urals, Russia","3","P -3 m 1","-P 3 2""","164","","","Zlatogorite","- Cu Ni Sb2 -","- Cu Ni Sb2 -","- Cu Ni Sb2 -","1","0.0833333","","Kabalov, Y. K.; Sokolova, E. V.; Spiridonov, E. M.; Spiridonov, F. M.","Crystal structure of a new mineral CuNiSb2","Doklady Akademii Nauk","1994","335","","709","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015437","5.717","","5.717","","13.8","","90","","90","","120","","390.612","","","","","","","","","","","","Eastern Siberia, Irkutsk, Russia","6","P -3 m 1","-P 3 2""","164","","","Ferronigerite-2N1S","- Al8.435 Fe0.83 H O15 Sn Zn0.36 -","- Al5.435 Fe0.83 H O12 Sn Zn0.36 -","- Al10.87 Fe1.66 H2 O24 Sn2 Zn0.72 -","2","0.166667","","Arakcheeva, A. V.; Pushcharovskii, D. Y.; Rastsvetaeva, R. K.; Kashaev, A. A.; Nadezhina, T. N.","Crystal structure of nigerite-6H","Kristallografiya","1995","40","","639","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015767","3.585","","3.585","","5.735","","90","","90","","120","","63.833","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Lawrencite","- Cl2 Fe -","- Cl2 Fe -","- Cl2 Fe -","1","0.0833333","","Vettier, C.; Yelon, W. B.","The structure of FeCl2 at high pressures Note: P = 5.97 kbar","Journal of Physics and Chemistry of Solids","1975","36","","401","405","10.1016/0022-3697(75)90065-7","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015958","13.37","","13.37","","7.11","","90","","90","","120","","1100.69","","","","","","","","","","","","Central Kazakhstan","5","P -3 m 1","-P 3 2""","164","","","Pyrosmalite-(Mn)","- Cl H9 Mn8 O24 Si6 -","- Cl H9 Mn8 O24 Si6 -","- Cl2 H18 Mn16 O48 Si12 -","2","0.166667","","Kashaev, A. A.","The crystal structure of pyrosmalite","Soviet Physics Crystallography","1968","12","","923","924","","","","","","","","","","","","","","","","","","","","","","has coordinates","205217","2020-10-21","18:00:00",""
"9016074","7.5984","","7.5984","","15.557","","90","","90","","120","","777.859","","","","","","","","","","","","Synthetic","4","P -3 m 1","-P 3 2""","164","","","Fettelite","- Ag17.742 As3.552 S15 Sb0.448 -","- Ag17.742 As3.552 S15 Sb0.448 -","- Ag17.742 As3.552 S15 Sb0.448 -","1","0.0833333","","Bindi, L.; Menchetti, S.","Fast ion conduction character and ionic phase-transition in silver sulfosalts: The case of fettelite [Ag6As2S7][Ag10HgAs2S8] Note: T = 400 K","American Mineralogist","2011","96","","792","796","10.2138/am.2011.3736","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016097","13.42","","13.42","","7.159","","90","","90","","120","","1116.57","","","","","","","","","","","","Kyurazawa mine, Tochigi Prefecture, Japan","4","P -3 m 1","-P 3 2""","164","","","Pyrosmalite-(Mn)","- H10 Mn8 O25 Si6 -","- H10 Mn8 O25 Si6 -","- H20 Mn16 O50 Si12 -","2","0.166667","","Takeuchi, Y.; Kawada, I.; Irimaziri, S.; Sadanaga, R.","The crystal structure and polytypism of manganpyrosmalite","Mineralogical Journal","1969","5","","450","467","10.2465/minerj1953.5.450","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016149","3.728","","3.728","","6.169","","90","","90","","120","","74.25","","","","","","","","","","","","Synthetic","2","P -3 m 1","-P 3 2""","164","","","","- Br2 Co -","- Br2 Co -","- Br2 Co -","1","0.0833333","","Wilkinson, M. K.; Cable, J. W.; Wollan, E. O.; Koehler, W. C.","Neutron diffraction investigations of the magnetic ordering in FeBr2, CoBr2, FeCl2, and CoCl2","Physical Review","1959","113","","497","507","10.1103/PhysRev.113.497","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016397","14.386","","14.386","","4.873","","90","","90","","120","","873.388","","","","","","","","","","","","Langesundsfjord district, Norway","7","P -3 m 1","-P 3 2""","164","","","Eirikite","- Al3 Be2 F2 K0.983 Na6.017 O39 Si15 -","- Al3.00006 Be2 F2 K0.983 Na6.017 O39 Si14.9999 -","- Al3.00006 Be2 F2 K0.983 Na6.017 O39 Si14.9999 -","1","0.0833333","","Larsen, A. O.; Kolitsch, U.; Gault, R. A.; Giester, G.","Eirikite, a new mineral species of the leifite group from the Langesundsfjord district, Norway","European Journal of Mineralogy","2010","22","","875","880","10.1127/0935-1221/2010/0022-2068","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9016399","7.3477","","7.3477","","5.2955","","90","","90","","90","","285.897","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Jacutingaite","- Hg Pt2 Se3 -","- Hg Pt2 Se3 -","- Hg2 Pt4 Se6 -","2","0.166667","","Vymazalova, A.; Laufek, F.; Drabek, M.; Cabral, A. R.; Haloda, J.; Sidorinova, T.; Lehmann, B.; Galbiatti, H. F.; Drahokoupil, J.","Jacutingaite, Pt2HgSe3, a new platinum-group mineral species from the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil Localiy: the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil","The Canadian Mineralogist","2012","50","","431","440","10.3749/canmin.50.2.431","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016549","3.585","","3.585","","5.735","","90","","90","","120","","63.833","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","Lawrencite","- Cl2 Fe -","- Cl2 Fe -","- Cl2 Fe -","1","0.0833333","","Vettier, C.; Yelon, W. B.","The structure of FeCl2 at high pressures Note: P = 6.40 kbar","Journal of Physics and Chemistry of Solids","1975","36","","401","405","10.1016/0022-3697(75)90065-7","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017599","7.6122","","7.6122","","12.0954","","90","","90","","120","","606.976","","","","","","","","","","","","Cycladic Blueschist Unit, Kallianou deposit, Evia Island, Greece","6","P -3 m 1","-P 3 2""","164","","","Polybasite","- Ag14.46 As0.42 Cu1.54 S9.67 Sb1.58 Te1.33 -","- Ag14.46 As0.42 Cu1.54 S9.67 Sb1.58 Te1.33 -","- Ag14.46 As0.42 Cu1.54 S9.67 Sb1.58 Te1.33 -","1","0.0833333","","Bindi, L.; Voudouris, P.; Spry, P. G.","Structural role of tellurium in the minerals of the pearceite-polybasite group","Mineralogical Magazine","2013","77","","419","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""