# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-31T01:52:59+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'R -3 :R' 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
"1001180","6.2277","0.0009","6.2277","0.0009","6.2277","0.0009","99.01","0.01","99.01","0.01","99.01","0.01","231.5","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Hexaindium tungsten oxide","","- In6 O12 W -","- In6 O12 W -","- In6 O12 W -","1","0.166667","","Michel, D; Kahn, A","The Structure of Indium Tungstate In~6~ W O~12~: Its Relation with the Fluorite Structure","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1437","1441","10.1107/S0567740882006104","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001774","8.215","0.002","8.215","0.002","8.215","0.002","76.04","0.02","76.04","0.02","76.04","0.02","512.2","","","","","","","","","","","","synthetic from solution at 348 K","5","R -3 :R","-P 3*","148","","Calcium dimagnesium chloride dodecahydrate","Tachyhydrite","- Ca Cl6 H24 Mg2 O12 -","- Ca Cl6 H24 Mg2 O12 -","- Ca Cl6 H24 Mg2 O12 -","1","0.166667","","Leclaire, A; Borel, M M; Monier, J C","Structure de la tachydrite","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2734","2735","10.1107/S0567740880009806","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1004020","6","0.002","6","0.002","6","0.002","54.42","0.03","54.42","0.03","54.42","0.03","132.9","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Calcium trioxostannate","","- Ca O3 Sn -","- Ca O3 Sn -","- Ca2 O6 Sn2 -","2","0.333333","","Durand, B; Loiseleur, H","Crystal data for an ilmenite variety of calcium stannate Ca Sn O~3~","Journal of Applied Crystallography","1978","11","","289","290","","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004021","5.74","0.001","5.74","0.001","5.74","0.001","55.65","0.02","55.65","0.02","55.65","0.02","120.2","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Manganese tin(IV) oxide","","- Mn O3 Sn -","- Mn O3 Sn -","- Mn2 O6 Sn2 -","2","0.333333","","Durand, B; Diot, M; Mollard, P","Preparation et characterisation de la variete ilmenite des stannates de manganese Mn Sn O~3~ et de calcium Ca Sn O~3~","Annales de Chimie (Paris) (Vol=Year)","1979","1979","","559","607","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004022","6","0.002","6","0.002","6","0.002","54.42","0.03","54.42","0.03","54.42","0.03","132.9","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Calcium tin(IV) oxide","","- Ca O3 Sn -","- Ca O3 Sn -","- Ca2 O6 Sn2 -","2","0.333333","","Durand, B; Diot, M; Mollard, P","Preparation et characterisation de la variete ilmenite des stannates de manganese Mn Sn O~3~ et de calcium Ca Sn O~3~","Annales de Chimie (Paris) (Vol=Year)","1979","1979","","559","607","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008900","5.6447","0.0005","5.6447","0.0005","5.6447","0.0005","59.923","0.004","59.923","0.004","59.923","0.004","127","","","","","","","","","","","","synthetic","4","R -3 :R","-P 3*","148","","Dilead magnesiotellurate(VI)","Elpasolite","- Mg O6 Pb2 Te -","- Mg O6 Pb1.9998 Te -","- Mg O6 Pb1.9998 Te -","1","0.166667","","Baldinozzi, G; Grebille, D; Sciau, Ph; Kiat, J-M; Moret, J; Berar, J-F","Rietveld refinement of the incommensurate structure of the elpasolite (ordered perovskite) Pb2 Mg Te O6","Journal of Physics: Condensed Matter","1998","10","","6461","6472","10.1088/0953-8984/10/29/006","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010026","5.45","","5.45","","5.45","","55.13","","55.13","","55.13","","101.5","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Nickel titanium oxide","","- Ni O3 Ti -","- Ni O3 Ti -","- Ni2 O6 Ti2 -","2","0.333333","","Posnjak, E; Barth, T F W","Notes on some structures of the Ilmenite type","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","271","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010027","5.82","","5.82","","5.82","","53.6","","53.6","","53.6","","118.5","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Cadmium titanium oxide - low temperature modification","","- Cd O3 Ti -","- Cd O3 Ti -","- Cd2 O6 Ti2 -","2","0.333333","","Posnjak, E; Barth, T F W","Notes on some structures of the Ilmenite type","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","271","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010213","7.09","","7.09","","7.09","","96.75","","96.75","","96.75","","348.3","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","Nickel hexachlorostannate hexahydrate","","- Cl6 H12 Ni O6 Sn -","- Cl6 H12 Ni O6 Sn -","- Cl6 H12 Ni O6 Sn -","1","0.166667","","Pauling, L","On the crystal structure of nickel chlorostannate hexahydrate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","72","","482","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010284","5.05","","5.05","","5.05","","40.03","","40.03","","40.03","","48","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Sodium hydrogen fluoride","","- F2 H Na -","- F2 H Na -","- F2 H Na -","1","0.166667","","Andersen, C C; Hassel, O","Die Struktur des kristallisierten Natriumhydrofluorids und die Gestalt des Ions H F~2~^-^","Zeitschrift fuer Physikalische Chemie (Leipzig)","1926","123","","151","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010566","6.814","","6.814","","6.814","","46.33","","46.33","","46.33","","151.1","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Potassium catena-antimonate","","- K O3 Sb -","- K O3 Sb -","- K2 O6 Sb2 -","2","0.333333","","Spiegelberg, P","X-Ray Studies on Potassium Antimonates","Arkiv foer Kemi, Mineralogi och Geologi, A","1940","14","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011033","5.52","","5.52","","5.52","","54.83","","54.83","","54.83","","104.6","","","","","","","","","","","","from Quincy, Massachusetts, U S A","3","R -3 :R","-P 3*","148","","Iron titanate","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe2 O6 Ti2 -","2","0.333333","","Barth, T F W; Posnjak, E","The Crystal Structure of Ilmenite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","265","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011150","10.31","","10.31","","10.31","","24.17","","24.17","","24.17","","161.5","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Bismuth tellurium sulfide (2/2/1)","Tetradymite","- Bi2 S Te2 -","- Bi2 S Te2 -","- Bi2 S Te2 -","1","0.166667","","Harker, D","The crystal structure of the mineral tetradymite, Bi2 Te2 S","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","89","","175","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011226","7.684","","7.684","","7.684","","108.02","","108.02","","108.02","","366.8","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Diberyllium silicate","Phenakite","- Be2 O4 Si -","- Be0.333333 O4 Si -","- Be2 O24 Si6 -","6","1","","Bragg, L W","The structure of phenacite Be2 Si O4","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1927","113","","642","657","10.1098/rspa.1927.0013","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520987","10.291","","10.291","","10.291","","54.645","","54.645","","54.645","","674.495","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Cs2 Pb ((Ta Cl)6 Cl12)","","- Cl18 Cs2 Pb Ta6 -","- Cl18 Cs2 Pb Ta6 -","- Cl18 Cs2 Pb Ta6 -","1","0.166667","","Cordier, S.; Sergent, M.; Loisel, C.; Perrin, C.","Tantalum chlorides in octahedral cluster chemistry: the structures of Cs2 Pb Ta6 Cl18 and Cs Pb Ta6 Cl18","Journal of Solid State Chemistry","1999","147","","350","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521313","9.1878","","9.1878","","9.1878","","68.458","","68.458","","68.458","","646.373","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","La2 Ti10.26 Ga9.63 O38","","- Ga9.63 La2 O38 Ti10.26 -","- Ga9.64 La2 O38 Ti10.26 -","- Ga9.64 La2 O38 Ti10.26 -","1","0.166667","","Meden, A.; Skapin, S.; Kolar, D.","Crystal structure and powder data of davidite-type La2 Ti10.27 Ga9.63 O38","Powder Diffraction","1999","14","","36","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521458","6.778","","6.778","","6.778","","99.42","","99.42","","99.42","","297.189","","","","","","","","","","","","","2","R -3 :R","-P 3*","148","","","","- Ce7 O12 -","- Ce7 O12 -","- Ce7 O12 -","1","0.166667","","Kuemmerle, E.A.; Heger, G.","The structures of C-(Ce2 O3+d), Ce7 O12 and Ce11 O20","Journal of Solid State Chemistry","1999","147","","485","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524854","6.548","","6.548","","6.548","","89.37","","89.37","","89.37","","280.703","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6 Pb0.92 S4.25","","- Mo6 Pb0.92 S20 -","- Mo6 Pb0.92 S20 -","- Mo6 Pb0.92 S20 -","1","0.166667","","Marezio, M.; Dernier, P.D.; Corenzwit, E.; Remeika, J.P.; Matthias, B.T.","Superconductivity of ternary sulfides and the structure of Pb Mo6 S8","Materials Research Bulletin","1973","8","","657","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525071","6.503","","6.503","","6.503","","94.43","","94.43","","94.43","","272.405","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6 S6 Br2","","- Br2 Mo6 S6 -","- Br2 Mo6 S6 -","- Br2 Mo6 S6 -","1","0.166667","","Perrin, C.; Chevrel, R.; Sergent, M.; Fischer, O.","Etude structurale d'un thiohalogenure supraconducteur derivant du Mo(II): Mo6 S6 Br2","Materials Research Bulletin","1979","14","","1505","1515","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525650","6.5079","","6.5079","","6.5079","","94.37","","94.37","","94.37","","273.094","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Ni1.99 Mo6 (Se2.18 S5.82)","","- Mo6 Ni1.99 S5.82 Se2.18 -","- Mo6 Ni1.986 S5.82 Se2.18 -","- Mo6 Ni1.986 S5.82 Se2.18 -","1","0.166667","","Belin, S.; Chevrel, R.; Sergent, M.","Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions","Journal of Solid State Chemistry","2000","155","","250","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525651","6.5628","","6.5628","","6.5628","","94.055","","94.055","","94.055","","280.433","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Ni1.85 Mo6 (Se3.46 S4.54)","","- Mo6 Ni1.85 S4.54 Se3.46 -","- Mo6 Ni1.848 S4.54 Se3.46 -","- Mo6 Ni1.848 S4.54 Se3.46 -","1","0.166667","","Belin, S.; Chevrel, R.; Sergent, M.","Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions","Journal of Solid State Chemistry","2000","155","","250","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525652","6.579","","6.579","","6.579","","93.875","","93.875","","93.875","","282.714","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Ni1.82 Mo6 (Se4.11 S3.89)","","- Mo6 Ni1.82 S3.89 Se4.11 -","- Mo6 Ni1.818 S3.89 Se4.11 -","- Mo6 Ni1.818 S3.89 Se4.11 -","1","0.166667","","Belin, S.; Chevrel, R.; Sergent, M.","Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions","Journal of Solid State Chemistry","2000","155","","250","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525653","6.6313","","6.6313","","6.6313","","93.106","","93.106","","93.106","","290.272","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Ni1.28 Mo6 (Se5.72 S2.28)","","- Mo6 Ni1.28 S2.28 Se5.72 -","- Mo6 Ni1.278 S2.28 Se5.72 -","- Mo6 Ni1.278 S2.28 Se5.72 -","1","0.166667","","Belin, S.; Chevrel, R.; Sergent, M.","Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions","Journal of Solid State Chemistry","2000","155","","250","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525654","6.7316","","6.7316","","6.7316","","91.183","","91.183","","91.183","","304.841","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Ni1.25 Mo6 Se8","","- Mo6 Ni1.25 Se8 -","- Mo6 Ni1.248 Se8 -","- Mo6 Ni1.248 Se8 -","1","0.166667","","Belin, S.; Chevrel, R.; Sergent, M.","Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions","Journal of Solid State Chemistry","2000","155","","250","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525655","6.483","","6.483","","6.483","","93.59","","93.59","","93.59","","270.801","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6.41 Se2.24 S5.76","","- Mo6.41 S5.76 Se2.24 -","- Mo6.414 S5.76 Se2.24 -","- Mo6.414 S5.76 Se2.24 -","1","0.166667","","Belin, S.; Burel, L.; Chevrel, R.; Sergent, M.","Self-molybdenum intercalation: stabilization of metastable pseudo-binary Chevrel phases in Mo6 Se8 - Mo6 S8 system","Materials Research Bulletin","2000","35","","151","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525656","6.553","","6.553","","6.553","","92.76","","92.76","","92.76","","280.386","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6.22 Se4.06 S3.94","","- Mo6.22 S3.94 Se4.06 -","- Mo6.216 S3.94 Se4.06 -","- Mo6.216 S3.94 Se4.06 -","1","0.166667","","Belin, S.; Burel, L.; Chevrel, R.; Sergent, M.","Self-molybdenum intercalation: stabilization of metastable pseudo-binary Chevrel phases in Mo6 Se8 - Mo6 S8 system","Materials Research Bulletin","2000","35","","151","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525657","6.565","","6.565","","6.565","","93.11","","93.11","","93.11","","281.649","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6.3 Se4.16 S3.84","","- Mo6.3 S3.84 Se4.16 -","- Mo6.3 S3.84 Se4.16 -","- Mo6.3 S3.84 Se4.16 -","1","0.166667","","Belin, S.; Burel, L.; Chevrel, R.; Sergent, M.","Self-molybdenum intercalation: stabilization of metastable pseudo-binary Chevrel phases in Mo6 Se8 - Mo6 S8 system","Materials Research Bulletin","2000","35","","151","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525658","6.603","","6.603","","6.603","","92.85","","92.85","","92.85","","286.783","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6.28 Se5.76 S2.24","","- Mo6.28 S2.24 Se5.76 -","- Mo6.282 S2.24 Se5.76 -","- Mo6.282 S2.24 Se5.76 -","1","0.166667","","Belin, S.; Burel, L.; Chevrel, R.; Sergent, M.","Self-molybdenum intercalation: stabilization of metastable pseudo-binary Chevrel phases in Mo6 Se8 - Mo6 S8 system","Materials Research Bulletin","2000","35","","151","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1526056","6.0424","","6.0424","","6.0424","","60.178","","60.178","","60.178","","156.625","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Ba Bi0.5 Sb0.5 O3","","- Ba Bi0.5 O3 Sb0.5 -","- Ba Bi0.5 O3 Sb0.5 -","- Ba2 Bi O6 Sb -","2","0.333333","","Fu, W.T.","A neutron powder diffraction study on Ba Bi0.5 Sb0.5 O3","Solid State Communications","2000","116","","461","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527363","11.769","","11.769","","11.769","","106.5","","106.5","","106.5","","1375.67","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","Na12 Mg7 (S O4)13 (H2 O)15","","- H30 Mg7 Na12 O67 S13 -","- Mg7 Na12 O67 S13 -","- Mg7 Na12 O67 S13 -","1","0.166667","","Fang, J.H.; Robinson, P.D.","Crystal structures and mineral chemistry of double-salt hydrates: II. The crystal structure of Loeweite","American Mineralogist","1970","55","","378","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527445","9.148","","9.148","","9.148","","69.078","","69.078","","69.078","","644.398","","","","","","","","","","","","","7","R -3 :R","-P 3*","148","","Sr0.7 La0.1 Pb0.1 Ti13.6 Fe6.7 Mn0.7 O38","","- Fe6.7 La0.1 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.6 -","- Fe6.698 La0.1 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.602 -","- Fe6.698 La0.1 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.602 -","1","0.166667","","Grey, I.E.; White, J.S.jr.; Lloyd, D.J.","The structure of crichtonite and its relationship to senaite","American Mineralogist","1976","61","","1203","1212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527760","6.551","","6.551","","6.551","","89.33","","89.33","","89.33","","281.083","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Pb0.92 Mo6 S7.5","","- Mo6 Pb0.92 S7.5 -","- Mo6 Pb0.92 S7.5 -","- Mo6 Pb0.92 S7.5 -","1","0.166667","","Marezio, M.; Remeika, J.P.; Dernier, P.D.; Corenzwit, E.; Matthias, B.T.","Superconductivity of ternary sulfides and the structure of Pb Mo6 S8","Materials Research Bulletin","1973","8","","657","668","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529546","6.515","","6.515","","6.515","","89.6","","89.6","","89.6","","276.511","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Sn (Mo6 S8)","","- Mo6 S8 Sn -","- Mo6 S8 Sn -","- Mo6 S8 Sn -","1","0.166667","","Alekseevskii, N.E.; Dobrovol'skii, N.M.; Kiosse, G.A.; Markus, M.M.; Malinovskii, T.I.; Radautsan, S.I.; Samus, D.P.","Structure and properties of Sn Mo6 S8 single crystals","Doklady Akademii Nauk SSSR","1978","242","","87","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529760","6.527","","6.527","","6.527","","89.7","","89.7","","89.7","","278.05","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Sn Mo6 S8","","- Mo6 S8 Sn -","- Mo6 S8 Sn -","- Mo6 S8 Sn -","1","0.166667","","Chevrel, R.; Rossel, C.; Sergent, M.","The structure of Sn Mo6 S8 and the superconducting properties of the series Snx Mo6 S8 and My Snx Mo6 S8 (M = La, Ce, Pr, Eu, Gd, Ho, Lu, Y, In, U)","Journal of the Less-Common Metals","1980","72","","31","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530563","6.5063","","6.5063","","6.5063","","89.374","","89.374","","89.374","","275.375","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Yb Mo6 S8","","- Mo6 S8 Yb -","- Mo6 S8 Yb -","- Mo6 S8 Yb -","1","0.166667","","Pena, O.; Gougeon, P.; Sergent, M.; Horyn, R.","Growth of single crystals of the Yb Mo6 S8 phase and refinement of its crystal structure","Journal of the Less-Common Metals","1984","99","","225","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530564","6.5531","","6.5531","","6.5531","","88.931","","88.931","","88.931","","281.265","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Eu Mo6 S8 -","- Eu0.998 Mo6 S8 -","- Eu0.998 Mo6 S8 -","1","0.166667","","Pena, O.; Horyn, R.; Padiou, J.; Geantet, C.; Gougeon, P.; Sergent, M.","Crystal structure and physical properties of Eu Mo6 S8 single crystals at ambient pressure","Journal of Solid State Chemistry","1986","63","","62","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530565","6.509","","6.509","","6.509","","88.83","","88.83","","88.83","","275.597","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Ce Mo6 S8 -","- Ce0.978 Mo6 S8 -","- Ce0.978 Mo6 S8 -","1","0.166667","","Pena, O.; Padiou, J.; Horyn, R.; Potel, M.; Geantet, C.; Sergent, M.","Crystal growth, crystal structure and physical characterization of Ce Mo6 S8","Materials Research Bulletin","1987","22","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530864","10.554","","10.554","","10.554","","78.5","","78.5","","78.5","","1113.15","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","Cu H6 (U Mo12 O42) (H2 O)12","","- Cu H30 Mo12 O54 U -","- Cu Mo12 O54 U -","- Cu Mo12 O54 U -","1","0.166667","","Tat'yanina, I.V.; Chernaya, T.S.; Gorchenkova, E.A.; Spitsyn, V.I.; Simonov, V.I.","Crystal structure of the U(IV) heteromolybdate Cu H6 (U Mo12 O42) (H2 O)12","Doklady Akademii Nauk SSSR","1979","247","","1162","1165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531725","6.704","","6.704","","6.704","","92.23","","92.23","","92.23","","300.599","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Co0.54 Mo6 Se8 -","- Co0.534 Mo6 Se8 -","- Co0.534 Mo6 Se8 -","1","0.166667","","Mancour-Billah, A.; Chevrel, R.","A new increasing delocalization of M = 3d-elements (Ti, Fe, Co) in the channels network of the ternary My Mo6 Se8 Chevrel phases","Journal of Solid State Chemistry","2003","170","","281","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531991","9.442","","9.442","","9.442","","94.65","","94.65","","94.65","","832.974","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","1","","Poulet, G.; Tuel, A.; Sautet, P.","Structure of hydrated microporous aluminophosphates: static and molecular dynamics approaches of (Al P O4)-34 from first principles calculations","J. Phys. Chem. B","2002","106","","8599","8608","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532790","5.47456","","5.47456","","5.47456","","60.6712","","60.6712","","60.6712","","117.778","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","La2 (Ni Mn O6)","","- La2 Mn Ni O6 -","- La2 Mn Ni O6 -","- La2 Mn Ni O6 -","1","0.166667","","Bull, C.L.; Gleeson, D.; Knight, K.S.","Determination of B-site ordering and structural transformations in the mixed transition metal perovskites La2 Co Mn O6 and La2 Ni Mn O6","Journal of Physics: Condensed Matter","2003","15","","4927","4936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532794","5.487977","","5.487977","","5.487977","","60.7239","","60.7239","","60.7239","","118.784","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","La2 (Co Mn O6)","","- Co La2 Mn O6 -","- Co La2 Mn O6 -","- Co La2 Mn O6 -","1","0.166667","","Bull, C.L.; Gleeson, D.; Knight, K.S.","Determination of B-site ordering and structural transformations in the mixed transition metal perovskites La2 Co Mn O6 and La2 Ni Mn O6","Journal of Physics: Condensed Matter","2003","15","","4927","4936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533209","5.60087","","5.60087","","5.60087","","60.2585","","60.2585","","60.2585","","124.964","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","Sr La Cu Ru O6","","- Cu La O6 Ru Sr -","- Cu La O6 Ru Sr -","- Cu La O6 Ru Sr -","1","0.166667","","Gateshki, M.; Igartua, J.M.","Crystal structures and phase transitions of the double perovskite oxides Sr La Cu Ru O6 and Sr La Ni Ru O6","Materials Research Bulletin","2003","38","","1893","1900","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534160","7.2","","7.2","","7.2","","92.4","","92.4","","92.4","","372.237","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","(Mg (H2 O)6) (Te Cl6)","","- Cl6 H12 Mg O6 Te -","- Cl6 Mg O6 Te -","- Cl6 Mg O6 Te -","1","0.166667","","Angoso, A.; Onken, H.; Hahn, H.","Zur Struktur der Magnesiumhexaquo-hexahalogenotellurate(IV)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1964","328","","223","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534272","5.84","","5.84","","5.84","","61.2","","61.2","","61.2","","144.641","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Na2 (Sn (O H)6)","","- H6 Na2 O6 Sn -","- H6 Na2 O6 Sn -","- H6 Na2 O6 Sn -","1","0.166667","","Bjoerling, C.O.","The crystal structure of potassium hydroxostannate and some related compounds.","Arkiv foer Kemi, Mineralogi och Geologi, B","1942","15","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534273","5.68","","5.68","","5.68","","70.1","","70.1","","70.1","","156.708","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","K2 (Sn (O H)6)","","- H6 K2 O6 Sn -","- H6 K2 O6 Sn -","- H6 K2 O6 Sn -","1","0.166667","","Bjoerling, C.O.","The crystal structure of potassium hydroxostannate and some related compounds.","Arkiv foer Kemi, Mineralogi och Geologi, B","1942","15","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534274","5.65","","5.65","","5.65","","69","","69","","69","","151.629","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","K2 (Pt (O H)6)","","- H6 K2 O6 Pt -","- H6 K2 O6 Pt -","- H6 K2 O6 Pt -","1","0.166667","","Bjoerling, C.O.","The crystal structure of potassium hydroxostannate and some related compounds.","Arkiv foer Kemi, Mineralogi och Geologi, B","1942","15","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534413","9.204","","9.204","","9.204","","68.65","","68.65","","68.65","","651.825","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Ca2 (Zn4 Ti16 O38)","","- Ca2 O38 Ti16 Zn4 -","- Ca2 O38 Ti16.0002 Zn3.9998 -","- Ca2 O38 Ti16.0002 Zn3.9998 -","1","0.166667","","Gatehouse, B.M.; Grey, I.E.","The crystal structure of Ca2 Zn4 Ti16 O38","Journal of Solid State Chemistry","1983","46","","151","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534780","8.595","","8.595","","8.595","","52.23","","52.23","","52.23","","367.012","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","K4 (Ru (N O2)6)","","- K4 N6 O12 Ru -","- K4 N6 O12 Ru -","- K4 N6 O12 Ru -","1","0.166667","","Gromilov, S.A.; Emel'yanov, V.A.; Baidina, I.A.; Alekseev, V.I.; Belyaev, A.V.","Synthesis and crystal structure of lithium and potassium hexanitroruthenates(II)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1994","35","","171","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534788","6.632","","6.632","","6.632","","94.78","","94.78","","94.78","","288.473","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Cu2.1 Mo6 Se3.5 S4.5","","- Cu2.1 Mo6 S4.5 Se3.5 -","- Cu2.16 Mo6 S4.48 Se3.52 -","- Cu2.16 Mo6 S4.48 Se3.52 -","1","0.166667","","Selwyn, L.S.; McKinnon, W.R.; le Page, Y.","Chalcogen rearrangement in the Chevrel compound In Mo6 Sez S8-z at 500 degrees C","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","42","","10427","10432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534790","6.521","","6.521","","6.521","","91.92","","91.92","","91.92","","276.818","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6 (Se3.6 S4.4)","","- Mo6 S4.4 Se3.6 -","- Mo6 S4.38 Se3.62 -","- Mo6 S4.38 Se3.62 -","1","0.166667","","Selwyn, L.S.; McKinnon, W.R.; le Page, Y.","Chalcogen rearrangement in the Chevrel compound In Mo6 Sez S8-z at 500 degrees C","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","42","","10427","10432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534793","6.606","","6.606","","6.606","","93.22","","93.22","","93.22","","286.862","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","In Mo6 Se3.5 S4.5","","- In Mo6 S4.5 Se3.5 -","- In1.002 Mo6 S4.46 Se3.54 -","- In1.002 Mo6 S4.46 Se3.54 -","1","0.166667","","Selwyn, L.S.; McKinnon, W.R.; le Page, Y.","Chalcogen rearrangement in the Chevrel compound In Mo6 Sez S8-z at 500 degrees C","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","42","","10427","10432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534958","7.6998","","7.6998","","7.6998","","55.787","","55.787","","55.787","","291.257","","","","","","","","","","","","","2","R -3 :R","-P 3*","148","","Sb (N3)3","","- N9 Sb -","- N9 Sb -","- N18 Sb2 -","2","0.333333","","Haiges, R.; Gerken, M.; Vij, A.; Boatz, J.A.; Schneider, S.; Schroer, T.; Christe, K.O.","First structural characterization of binary As(III) and Sb(III) azides","Chemistry - A European Journal","2004","10","","508","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535105","8.818","","8.818","","8.818","","112.9","","112.9","","112.9","","448.523","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Cu6 (Si6 O18) (H2 O)6","","- Cu6 H12 O24 Si6 -","- Cu6 H12 O24 Si6 -","- Cu6 H12 O24 Si6 -","1","0.166667","","Belokoneva, E.L.; Smirnitskaya, Yu.Ya.; Tsirel'son, V.G.","Distribution of electron density in dioptase as the result of precisional X-ray diffraction study.","Zhurnal Neorganicheskoi Khimii","1992","37","","1588","1596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535271","5.443","","5.443","","5.443","","55.12","","55.12","","55.12","","101.085","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Ni (Ti O3)","","- Ni O3 Ti -","- Ni O3 Ti -","- Ni2 O6 Ti2 -","2","0.333333","","Sullivan, D.C.; Pavlovic, A.S.","Crystal structure determination of nickel and cobalt titanate","Proceedings of the West Virginia Academy of Science","1962","34","","173","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535275","5.486","","5.486","","5.486","","54.83","","54.83","","54.83","","102.695","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Co (Ti O3)","","- Co O3 Ti -","- Co O3 Ti -","- Co2 O6 Ti2 -","2","0.333333","","Sullivan, D.C.; Pavlovic, A.S.","Crystal structure determination of nickel and cobalt titanate","Proceedings of the West Virginia Academy of Science","1962","34","","173","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539090","5.538","","5.538","","5.538","","54.68","","54.68","","54.68","","105.215","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Fe (Ti O3)","","- Fe O3 Ti -","- Fe O3 Ti -","- Fe2 O6 Ti2 -","2","0.333333","","Shirane, G.; Pickart, S.J.; Nathans, R.; Ishikawa, Y.","Neutron-diffraction study of antiferromagnetic Fe Ti O3 and its solid solutions with alpha-Fe2 O3","Journal of Physics and Chemistry of Solids","1959","10","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539515","13.117","","13.117","","13.117","","49.34","","49.34","","49.34","","1193.38","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","Mg3 Eu2 (N O3)12 (H2 O)24","","- Eu2 H48 Mg3 N12 O60 -","- Eu2 Mg3 N12 O60 -","- Eu2 Mg3 N12 O60 -","1","0.166667","","Akimov, V.M.; Yanovskii, A.I.; Novikov, N.K.; Struchkov, Yu.T.; Grigor'ev, Yu.A.; Molodkin, A.K.","The crystal structure of magnesium europium nitrate-24-water Mg3 Eu2 (N O3)12 (H2 O)24","Zhurnal Neorganicheskoi Khimii","1987","32","","1547","1552","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540303","6.563","","6.563","","6.563","","88.998","","88.998","","88.998","","282.56","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Sr (Mo6 S8)","","- Mo6 S8 Sr -","- Mo6 S8 Sr -","- Mo6 S8 Sr -","1","0.166667","","Koppelhuber-Bitschnau, B.; Mautner, F.A.; Yvon, K.","Low-temperature structural phase transition in Sr Mo6 S8 studied by x-tay powder diffraction","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1990","121","","505","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540953","6.552","","6.552","","6.552","","94.42","","94.42","","94.42","","278.622","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6 S5.96 I1.76","","- I1.76 Mo6 S5.96 -","- I1.76 Mo6 S5.958 -","- I1.76 Mo6 S5.958 -","1","0.166667","","Shamrai, V.F.; Leitus, G.M.; Musatenko, A.Yu.","Crystal structure of Mo6 S6 I2","Kristallografiya","1988","33","","1289","1291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541189","5.227","","5.227","","5.227","","96.501","","96.501","","96.501","","139.825","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Cs (Br F6)","","- Br Cs F6 -","- Br Cs F6 -","- Br Cs F6 -","1","0.166667","","Mahjoub, A.R.; Seppelt, K.; Hoser, A.; Fuchs, J.","Die Struktur von Br F6(-) und verwandten Verbindungen","Angewandte Chemie (German Edition)","1989","101","","1528","1529","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1548908","9.609","0.0017","9.609","0.0017","9.609","0.0017","94.46","0.03","94.46","0.03","94.46","0.03","878.7","0.3","293","2","293","2","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","1","SP5002","Tinti, Gemma; Fröjdh, Erik; van Genderen, Eric; Gruene, Tim; Schmitt, Bernd; de Winter, D. A. Matthijs; Weckhuysen, Bert M.; Abrahams, Jan Pieter","Electron crystallography with the EIGER detector","IUCrJ","2018","5","2","190","199","10.1107/S2052252518000945","","","0.02508","","","0.2532","0.2225","","","0.4999","0.5177","","","","","","1.304","","","","has coordinates","206765","2020-10-21","18:00:00",""
"1566637","7.78","0.01","7.78","0.01","7.78","0.01","113.1","0.2","113.1","0.2","113.1","0.2","304","2","","","","","","","","","","","","2","R -3 :R","-P 3*","148","ice II","","","- D2 O -","- D2 O -","- D24 O12 -","12","2","","Kamb, B.; Hamilton, W.C.; LaPlaca, S.J.; Prakash, A.","Ordered Proton Configuration in Ice II, from Single - Crystal Neutron Diffraction","The Journal of Chemical Physics","1971","55","","1934","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273831","2022-03-20","03:25:56",""
"2000149","9.087","0.003","9.087","0.003","9.087","0.003","115.73","0.03","115.73","0.03","115.73","0.03","390.6","0.8","","","","","","","","","","","","4","R -3 :R","-P 3*","","","","","- C Ag N O -","- C Ag N O -","- C6 Ag6 N6 O6 -","6","1","CR0363","Britton, D.","A redetermination of the trigonal silver fulminate structure","Acta Crystallographica Section C","1991","47","12","2646","2647","10.1107/S0108270191008855","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000736","6.51","0.001","6.51","0.001","6.51","0.001","89.47","0.02","89.47","0.02","89.47","0.02","275.86","0.07","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Mo6 S8 Sn0.854 -","- Mo6 S8 Sn0.854 -","- Mo6 S8 Sn0.854 -","1","0.166667","CR0368","Le Lay, L.; Powell, D. R.; Willis, T. C.","Structure of Sn~0.854~Mo~6~S~8~","Acta Crystallographica, Section C: Crystal Structure Communications","1992","48","7","1179","1182","10.1107/S0108270191014609","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","302839","2025-10-08","17:22:55",""
"2005021","11.354","0.005","11.354","0.005","11.354","0.005","107.21","0.05","107.21","0.05","107.21","0.05","1211.9","1.3","293","2","293","2","","","","","","","","3","R -3 :R","-P 3*","148","3,7,10-tribenzyl-3,7,10-triaza[3.3.3]propellane","","","- C29 H33 N3 -","- C29 H33 N3 -","- C58 H66 N6 -","2","0.333333","KA1166","Herbstein, F. H.; Kapon, M.; Reisner, G. M.","Comparison of the Geometries of 3,7,10-Tribenzyl-3,7,10-triaza[3.3.3]propellane, (1), 7,10-Dibenzyl-3-<i>p</i>-tolyl-3,7,10-triaza[3.3.3]propellane, (2), and 7,10-Dibenzyl-3-oxa-7,10-diaza[3.3.3]propellane, (3)","Acta Crystallographica Section C","1996","52","6","1539","1543","10.1107/S0108270195016039","","","0.71069","MoKα","","0.085","0.0544","","0.1357","0.1153","","","","1.131","","","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2007485","18.618","0.002","18.618","0.002","18.618","0.002","118.34","0.01","118.34","0.01","118.34","0.01","2141","4","293","2","293","2","","","","","","","","4","R -3 :R","-P 3*","148","","2-(4-nitroanilino)-phenethylalcohol","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C84 H84 N12 O18 -","6","1","SK1162","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","2-(4-Nitroanilino)-2-phenylethanol","Acta Crystallographica Section C","1998","54","7","955","957","10.1107/S0108270198001826","","","0.71073","MoKα","","0.1029","0.0446","","0.1246","0.1092","","","","0.798","1.069","1.069","","","","","has coordinates","301791","2025-08-18","23:15:31",""
"2008611","7.507","0.001","7.507","0.001","7.507","0.001","92.29","0.02","92.29","0.02","92.29","0.02","422.02","0.1","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","Sodium iodide tris(1,4-dioxane)","","","- C12 H24 I Na O6 -","- C12 H24 I Na O6 -","- C12 H24 I Na O6 -","1","0.166667","QA0095","Belsky, Vitaly K.; Maslennikova, Vera I.","Sodium tris(1,4-dioxane) iodide","Acta Crystallographica Section C","1999","55","6","IUC9900057","","10.1107/S0108270199099370","","","0.71073","MoKα","","0.022","0.022","","","","0.063","","","","","","1.108","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2010110","12.218","0.002","12.218","0.002","12.218","0.002","86.01","0.01","86.01","0.01","86.01","0.01","1811.2","0.5","293","2","293","2","","","","","","","","7","R -3 :R","-P 3*","148","","Bis[tris(2,2'-bipyridine)nickel(II)] tris(dicyanoargentate(I) chloride nonahydrate","","- C66 H66 Ag3 Cl N18 Ni2 O9 -","- C66 H48 Ag3 Cl0.96 N18 Ni2 O9 -","- C66 H48 Ag3 Cl0.96 N18 Ni2 O9 -","1","0.166667","KA1082","Černák, Juraj; Kaňuchová, Mária; Chomič, Jozef; Potočňák, Ivan; Kameníček, Jiří; Žák, Zdirad","Bis[tris(bipyridine)nickel(II)] tris[dicyanoargentate(I)] chloride <i>n</i>-hydrate (<i>n</i> = 9)","Acta Crystallographica Section C","1994","50","10","1563","1566","10.1107/S0108270194005500","","","0.71069","MoKα","","0.1168","0.0383","","0.1318","0.1121","","","","0.943","1.164","1.164","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100704","6.6695","","6.6695","","6.6695","","113.838","","113.838","","113.838","","182.39","","","","293","","","","","","","","","2","R -3 :R","-P 3*","148","Ni4Ti3","Ni4Ti3","","- Ni4 Ti3 -","- Ni8 Ti6 -","- Ni8 Ti6 -","","","LC5049","Tirry, Wim; Schryvers, Dominique; Jorissen, Kevin; Lamoen, Dirk","Electron-diffraction structure refinement of Ni~4~Ti~3~ precipitates in Ni~52~Ti~48~","Acta Crystallographica Section B","2006","62","6","966","971","10.1107/S0108768106036457","","","0.0196875","monochromatic","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103405","28.042","","28.042","","28.042","","118.64","","118.64","","118.64","","6636.45","","","","","","","","","","","","","4","R -3 :R","P 3* 2","148","","","","- C62 H70 N8 O6 -","- C62 N8 O6 -","- C186 N24 O18 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199474","2020-10-21","18:00:00",""
"2105387","8.148","","8.148","","8.148","","113.45","","113.45","","113.45","","341.64","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Au Cl O -","- Au Cl O -","- Au6 Cl6 O6 -","6","1","","Rumpel, H.; Schwarzmann, E.; Jones, P.G.; Sheldrick, G.M.","Gold(III) chloride oxide","Acta Crystallographica B (24,1968-38,1982)","1979","35","","2380","2381","10.1107/S0567740879009365","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105410","6.151","","6.151","","6.151","","91.8","","91.8","","91.8","","232.37","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","B3 N3 Cl6","","- B3 Cl6 N3 -","- B3 Cl6 N3 -","- B3 Cl6 N3 -","1","0.166667","","Mueller, U.","Die Kristallstruktur von Hexachloroborazol","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1997","2003","10.1107/S0567740871005235","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2106254","6.612","","6.612","","6.612","","62.27","","62.27","","62.27","","214.759","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","(N H4) (Sn F3)","","- F3 H4 N Sn -","- F3 H4 N Sn -","- F6 H8 N2 Sn2 -","2","0.333333","","Bergerhoff, G.; Namgung, H.","Ammonium-trifluorostannat(II)","Acta Crystallographica B (24,1968-38,1982)","1978","34","","699","700","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2106261","8.959","","8.959","","8.959","","74.7","","74.7","","74.7","","654.27","","","","","","","","","","","","","2","R -3 :R","-P 3*","148","","","","- Mn0.83 Si0.11 -","- Mn0.832075 Si0.109113 -","- Mn44.1 Si5.783 -","53","8.83333","","Brink-Shoemaker, C.; Shoemaker, D.P.","Refinement of an R phase, Mn85.5 Si14.5","Acta Crystallographica B (24,1968-38,1982)","1978","34","","701","705","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106384","7.912","","7.912","","7.912","","109.241","","109.241","","109.241","","384.489","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mn (S O3)","","- Mn O3 S -","- Mn O3 S -","- Mn6 O18 S6 -","6","1","","Magnusson, A.; Johansson, L.G.","Rhombohedral manganese(II) sulfite","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1400","1401","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106831","5.668","","5.668","","5.668","","77.01","","77.01","","77.01","","169.954","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","(N H4)2 (Pt (O H)6)","","- H14 N2 O6 Pt -","- H14 N2 O6 Pt -","- H14 N2 O6 Pt -","1","0.166667","","Bandel, G.; Platte, C.; Troemel, M.","Ammonium-hexahydroxoplatinat(IV) und Strukturverfeinerung fuer Kalium-hexahydroxoplatinat(IV)","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1544","1546","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:26",""
"2106832","5.658","","5.658","","5.658","","69.04","","69.04","","69.04","","152.371","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","K2 (Pt (O H)6)","","- H6 K2 O6 Pt -","- H6 K2 O6 Pt -","- H6 K2 O6 Pt -","1","0.166667","","Bandel, G.; Platte, C.; Troemel, M.","Ammonium-hexahydroxoplatinat(IV) und Strukturverfeinerung fuer Kalium-hexahydroxoplatinat(IV)","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1544","1546","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:26",""
"2107175","18.225","","18.225","","18.225","","30.515","","30.515","","30.515","","1383.53","","","","","","","","","","","","","6","R -3 :R","-P 3*","148","","K3 (K0.333 (H2 O)0.667)6 Na2 (Na0.38 (H3 O)0.12 (H2 O)0.5)6 Fe6 O2 (S O4)12 (H2 O)6","","- Fe6 H28.164 K4.998 Na4.28 O63.722 S12 -","- Fe6 K4.998 Na4.28 O63.722 S12 -","- Fe6 K4.998 Na4.28 O63.722 S12 -","1","0.166667","","Scordari, F.","The structure of K3 (K.333 (H2 O).667)6 Na2 (Na.38 (H3 O).12 (H2 O).50)6 Fe6 O2 (S O4)12 (H2 O)6 and its relationship with the parent compound","Acta Crystallographica B (24,1968-38,1982)","1981","37","","312","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107420","8.7094","","8.7094","","8.7094","","90.265","","90.265","","90.265","","660.619","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Ba2 Bi (Bi O6)","","- Ba2 Bi2 O6 -","- Ba2 Bi2 O6 -","- Ba8 Bi8 O24 -","4","0.666667","","Cox, D.E.; Sleight, A.W.","Mixed-valent Ba2 Bi(III) Bi(V) O6: Structure and properties vs temperature","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2205514","14.251","0.0012","14.251","0.0012","14.251","0.0012","116.402","0.007","116.402","0.007","116.402","0.007","1391","0.8","298","2","298","2","","","","","","","","5","R -3 :R","-P 3*","148","","Potassium ethane-1,1-bis(diazeniumdiolate) monohydrate","","- C2 H6 K2 N4 O5 -","- C2 H6 K2 N4 O5 -","- C12 H36 K12 N24 O30 -","6","1","HK6000","Arulsamy, Navamoney; Bohle, D. Scott","Dipotassium ethane-1,1-diylbis(diazeniumdiolate) monohydrate","Acta Crystallographica Section E","2005","61","4","m764","m766","10.1107/S1600536805008822","","","0.71073","MoKα","","0.0472","0.0329","","","0.0772","0.0838","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209159","9.3282","0.0002","9.3282","0.0002","9.3282","0.0002","113.456","0.0002","113.456","0.0002","113.456","0.0002","512.43","0.019","293","2","293","2","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Ge O3 Pb -","- Ge O3 Pb -","- Ge6 O18 Pb6 -","6","1","FI2002","Yan Xu; Liying Cheng; Guangpeng Zhou; Yanli Wang","Lead germanium oxide","Acta Crystallographica Section E","2006","62","6","i135","i137","10.1107/S1600536806017697","","","0.71073","MoKα","","0.057","0.05","","","0.158","0.164","","","","","","1.21","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2224196","9.5145","0.0004","9.5145","0.0004","9.5145","0.0004","114.678","0.002","114.678","0.002","114.678","0.002","495.88","0.06","183","2","183","2","","","","","","","","4","R -3 :R","-P 3*","148","","Copper(II) hydrogenphosphate","","- Cu H O4 P -","- Cu H O4 P -","- Cu6 H6 O24 P6 -","6","1","FI2089","Günther, Christiane; Görls, Helmar; Stachel, Dörte","Copper(II) hydrogenphosphate, CuHPO~4~","Acta Crystallographica Section E","2009","65","12","i85","","10.1107/S1600536809045632","","","0.71073","MoKα","","0.0331","0.0259","","","0.0636","0.0664","","","","","","1.024","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2310474","5.417","","5.417","","5.417","","95.5","","95.5","","95.5","","156.608","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Cs (U F6)","","- Cs F6 U -","- Cs F6 U -","- Cs F6 U -","1","0.166667","","Rosenzweig, A.; Cromer, D.T.","The crystal structure of Cs U F6","Acta Crystallographica (1,1948-23,1967)","1967","23","","865","867","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310633","5.4846","","5.4846","","5.4846","","55","","55","","55","","103.088","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Co Ti O3","","- Co O3 Ti -","- Co O3 Ti -","- Co2 O6 Ti2 -","2","0.333333","","Mewnham, R.E.; Fang, J.H.; Santoro, R.P.","Crystal structure and magnetic properties of Co Ti O3","Acta Crystallographica (1,1948-23,1967)","1964","17","","240","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311965","19.9182","0.0009","19.9182","0.0009","19.9182","0.0009","116.98","0.002","116.98","0.002","116.98","0.002","3496.4","0.7","100","2","100","2","","","","","","","","4","R -3 :R","-P 3*","148","","(1'<i>RS</i>,2'<i>RS</i>,3<i>SR</i>,7a'<i>SR</i>)-2'-Benzoyl-1-hexyl-2-oxo-\ 1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-1'-carboxylic acid","","- C28 H32 N2 O4 -","- C28 H32 N2 O4 -","- C168 H192 N12 O24 -","6","1","SK3676","Quiroga, Jairo; Romo, Pablo; Cobo, Justo; Glidewell, Christopher","Synthesis of spiro[indoline-3,3'-pyrrolizines] by 1,3-dipolar reactions between isatins, L-proline and electron-deficient alkenes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1109","1115","10.1107/S2053229617016072","","","0.71073","MoKα","","0.0909","0.0539","","","0.1118","0.1273","","","","","","1.034","","","","has coordinates","301809","2025-08-19","19:04:05",""
"3000242","8.6197","","8.6197","","8.6197","","107.896","","107.896","","107.896","","519.775","","","","","","","","","","","","","3","R -3 :R","-P 3*","","Zn2SiO4","","willemite","- O4 Si Zn2 -","","","","","","Kanzaki, M.","High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 willemite at 0 K)","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","297259","2025-01-10","08:43:02","2020-04-22"
"4001207","6.13228","0.00026","6.13228","","6.13228","","98.928","0.005","98.928","","98.928","","221.22","0.01","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- O12 Sc6 W -","- O12 Sc6 W -","- O12 Sc6 W -","1","0.166667","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001209","6.13563","0.0001","6.13563","","6.13563","","98.9226","0.0017","98.9226","","98.9226","","221.594","0.004","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- O12 Sc6 W -","- O12 Sc6 W -","- O12 Sc6 W -","1","0.166667","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4021172","27.211","0.003","27.211","0.003","27.211","0.003","118.6","0.02","118.6","0.02","118.6","0.02","6150","25","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C43 H47 Cl N2 O7 -","- C43 H47 Cl N2 O7 -","- C258 H282 Cl6 N12 O42 -","6","1","","Ana I. Oliva; Luis Simón; Francisco M. Muñiz; Francisca Sanz; Caridad Ruiz-Valero; Joaquń R. Morán","Chromogenic Charge Transfer Cleft-Type Tetrahydrobenzoxanthene Enantioselective Receptors for Dinitrobenzoylamino Acids","Journal of Organic Chemistry","2004","69","","6883","6885","10.1021/jo049113h","","","","","","","0.0783","","","0.2303","","","","","","","","","","","has coordinates","301812","2025-08-19","20:48:10",""
"4030668","5.12","0.01","5.12","0.01","5.12","0.01","96.23","0.01","96.23","0.01","96.23","0.01","131.7","0.4","","","200","","","","","","","","","4","R -3 :R","-P 3*","148","","","","- F6 H4 N Ta -","- F6 H4 N Ta -","- F6 H4 N Ta -","1","0.166667","","Crimberg, C.; Strahle, J.; Laval, J.-P.; Frit, B.; Sonntag, R.; Ihringer, J.","X-ray and neutron-diffraction study of NH4TaF6","European Journal of Solid State and Inorganic Chemistry","1994","31","","449","462","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.075","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4031462","8.506","","8.506","","8.506","","82.54","","82.54","","82.54","","601.044","","","","","","","","","","","","","6","R -3 :R","-P 3*","148","","(Na ((N H3) B H2 (C N))6) I","","- C6 H30 B6 I N12 Na -","- C6 H30 B6 I N12 Na -","- C6 H30 B6 I N12 Na -","1","0.166667","","Hargrave, K.D.; Wisian-Neilson, P.; McPhail, A.T.; Spielvogel, B.F.","Synthesis and crystal structure of hexakis(ammonia-cyanoborane) sodium iodide","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1977","1977","","2150","2153","","","","","","","","","","","","","","","","","","","","","","has coordinates","301828","2025-08-20","10:30:47",""
"4031639","4.991","","4.991","","4.991","","97.18","","97.18","","97.18","","121.129","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","K (Os F6)","","- F6 K Os -","- F6 K Os -","- F6 K Os -","1","0.166667","","Hepworth, M.A.; Jack, K.H.; Westland, G.J.","Structures of complex fluorides - I. Potassium hexafluoroosmate(V), K Os F6","Journal of Inorganic and Nuclear Chemistry","1956","2","","79","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061914","15.418","0.003","15.418","0.003","15.418","0.003","115.434","0.002","115.434","0.002","115.434","0.002","1967.6","0.6","110","0","110","0","","","","","","","","6","R -3 :R","-P 3*","148","1,2-Bis(cyanomercurio)tetrafluorobenzene-acetaldehyde","","","- C11 H4 F4 Hg2 N2 O -","- C10 H4 F4 Hg2 N2 O -","- C60 H24 F24 Hg12 N12 O6 -","6","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178516","2020-10-21","18:00:00",""
"4062167","17.8969","0.0016","17.8969","0.0016","17.8969","0.0016","114.809","0.001","114.809","0.001","114.809","0.001","3263.3","0.5","173","2","173","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C40 H60 O6 Ru4 Si4 -","- C40 H56 O6 Ru4 Si4 -","- C120 H168 O18 Ru12 Si12 -","3","0.5","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178517","2020-10-21","18:00:00",""
"4068574","16.422","0.004","16.422","0.004","16.422","0.004","105.299","0.002","105.299","0.002","105.299","0.002","3846.6","1.6","293","2","293","2","","","","","","","","4","R -3 :R","-P 3*","148","","","","- C22.17 H37.33 Al3 N3 -","- C22.17 H36 Al3 N3 -","- C133.02 H216 Al18 N18 -","6","1","","Pi, Chengfu; Wan, Li; Wu, Haoyu; Gu, Yingying; Zheng, Wenjun; Weng, Linhong; Chen, Zhenxia; Wu, Limin","Synthesis of Fused Aminocarbaaluminum Hydrides by the Hydroalumination of Bulky Isocyanides⊥","Organometallics","2009","28","4","1263","","10.1021/om800961h","","","0.71073","MoKα","","0.0731","0.0533","","","0.14","0.1564","","","","","","1.06","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4073297","12.3337","0.0001","12.3337","0.0001","12.3337","0.0001","112.92","0.02","112.92","0.02","112.92","0.02","1225.8","0.9","100","","100","","","","","","","","diethylether","6","R -3 :R","-P 3*","148","","trifluoromethanesulphonate-(η^3^-allyl)-palladium(ii)","","- C4 H5 F3 O3 Pd S -","- C4 H5 F3 O3 Pd S -","- C24 H30 F18 O18 Pd6 S6 -","6","1","","Chernyshova, Eleonora S.; Goddard, Richard; Pörschke, Klaus-Richard","Mononuclear NHC−Pd−π-Allyl Complexes Containing Weakly Coordinating Ligands","Organometallics","2007","26","13","3236","","10.1021/om0702274","","","0.71073","MoKα","","0.0203","0.0194","","","0.0449","0.0453","","","","","","1.136","","","","has coordinates","178621","2020-10-21","18:00:00",""
"4079916","14.7733","0.0004","14.7733","0.0004","14.7733","0.0004","91.08","","91.08","","91.08","","3222.54","0.15","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C63 H63 B I3 P3 -","- C63 H63 B I3 P3 -","- C126 H126 B2 I6 P6 -","2","0.333333","","Song, Ki Cheol; Lee, Kang Mun; Nghia, Nguyen Van; Sung, Woo Young; Do, Youngkyu; Lee, Min Hyung","Synthesis and Anion Binding Properties of Multi-phosphonium Triarylboranes: Selective Sensing of Cyanide Ions in Buffered Water at pH 7","Organometallics","2013","32","3","817","","10.1021/om3010542","","","0.71073","MoKα","","0.0895","0.0736","","","0.209","0.2156","","","","","","1.069","","","","has coordinates","301830","2025-08-20","13:17:27",""
"4083583","18.344","0.003","18.344","0.003","18.344","0.003","115.12","","115.12","","115.12","","3416.6","1","173","2","173","2","","","","","","","","3","R -3 :R","-P 3*","148","","","","- C26 H29 N5 -","- C26 H29 N5 -","- C156 H174 N30 -","6","1","","Johnson, Kevin R. D.; Kamenz, Breanne L.; Hayes, Paul G.","Bis(pyrazolyl)carbazole as a Versatile Ligand for Supporting Lutetium Alkyl and Hydride Complexes","Organometallics","2014","33","12","3005","","10.1021/om500226t","","","0.71073","MoKα","","0.0483","0.0408","","","0.1087","0.1147","","","","","","1.063","","","","has coordinates","301831","2025-08-20","13:52:24",""
"4088601","20.5316","0.0009","20.5316","0.0009","20.5316","0.0009","82.13","","82.13","","82.13","","8430.9","0.6","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C186 H330 Dy6 N24 Si24 -","- C186 H330 Dy6 N24 Si24 -","- C186 H330 Dy6 N24 Si24 -","1","0.166667","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.1263","0.0523","","","0.1126","0.1288","","","","","","0.828","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4100206","16.0236","0.001","16.0236","0.001","16.0236","0.001","74.445","0.001","74.445","0.001","74.445","0.001","3732","0.4","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C84.5 H111 N3 O3.5 U -","- C84 H111 N4 O3 U -","- C168 H222 N8 O6 U2 -","2","0.333333","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053497r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100207","16.1204","0.0017","16.1204","0.0017","16.1204","0.0017","73.85","0.002","73.85","0.002","73.85","0.002","3772.4","0.7","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C28 H37 N1.5 O U0.33 -","- C28 H37 N1.5 O U0.333333 -","- C168 H222 N9 O6 U2 -","6","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053497r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101778","21.8438","0.0004","21.8438","0.0004","21.8438","0.0004","99.34","","99.34","","99.34","","9956","0.3","100","2","100","2","","","","","","","","9","R -3 :R","-P 3*","148","","","","- C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24 -","- C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24 -","- C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24 -","1","0.166667","","Alexander Laskavy; Linda J. W. Shimon; Leonid Konstantinovski; Mark A. Iron; Ronny Neumann","Activation of Molecular Oxygen by a Dioxygenase Pathway by a Ruthenium Bis-bipyridine Compound with a Proximal Selenium Site","Journal of the American Chemical Society","2010","132","","517","523","10.1021/ja9047027","","","0.71073","MoKα","","0.1121","0.0591","","","0.1525","0.1984","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105365","14.99","0.0001","14.99","0.0001","14.99","0.0001","63.763","","63.763","","63.763","","2579.48","0.03","173","2","173","2","","","","","","","","8","R -3 :R","-P 3*","148","","","","- C103 H90 Au6 B2 F8 N6 O3 P6 -","- C103 Au6 B2 F8 N6 O3 P6 -","- C103 Au6 B2 F8 N6 O3 P6 -","1","0.166667","","Jian-Hua Jia; Quan-Ming Wang","Intensely Luminescent Gold(I)-Silver(I) Cluster with Hypercoordinated Carbon","Journal of the American Chemical Society","2009","131","","16634","16635","10.1021/ja906695h","","","0.71073","MoKα","","0.0435","0.0267","","","0.0625","0.0645","","","","","","0.932","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4110981","11.7638","0.0015","11.7638","0.0015","11.7638","0.0015","76.338","0.002","76.338","0.002","76.338","0.002","1508.8","0.3","183","2","183","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C34 H36 Al N O4 -","- C33.93 H30 Al N O4 -","- C67.86 H60 Al2 N2 O8 -","2","0.333333","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0659","0.0528","","","0.1396","0.1513","","","","","","1.056","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111868","15.0192","0.0017","15.0192","0.0017","15.0192","0.0017","61.465","0.017","61.465","0.017","61.465","0.017","2474.5","0.7","293","2","293","2","","","","","","","","7","R -3 :R","-P 3*","148","(EDT-TTF-CONH2)6 (RE6Se8(CN)6)","","","- C60 H18 N12 O6 Re6 S36 Se8 -","- C60 H18 N12 O6 Re6 S36 Se8 -","- C60 H18 N12 O6 Re6 S36 Se8 -","1","0.166667","","Stéphane A. Baudron; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Vladimir Laukhin; Roberto Melzi; Pawel Wzietek; Denis Jérome; Pascale Auban-Senzier; Sylvain Ravy","(EDT-TTF-CONH2)6[Re6Se8(CN)6], a Metallic Kagome-Type Organic-Inorganic Hybrid Compound: Electronic Instability, Molecular Motion, and Charge Localization","Journal of the American Chemical Society","2005","127","","11785","11797","10.1021/ja0523385","","","0.71073","MoKα","","0.0407","0.029","","","0.0661","0.0695","","","","","","0.994","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4115531","15.437","0.002","15.437","0.002","15.437","0.002","93.02","0.01","93.02","0.01","93.02","0.01","3662.8","0.8","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C25.33333 H16.33333 Br N4 O8 -","- C25.3333 H16.3333 Br N4 O8 -","- C152 H98 Br6 N24 O48 -","6","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1067","0.0704","","","0.1301","0.1434","","","","","","1.228","","","","has coordinates","301833","2025-08-20","15:22:58",""
"4115532","15.427","0.002","15.427","0.002","15.427","0.002","91.73","0.01","91.73","0.01","91.73","0.01","3666.4","0.8","293","2","293","2","","","","","","","","4","R -3 :R","-P 3*","148","","","","- C26 H18.33 N4.33 O8.33 -","- C26 H18.34 N4.33333 O8.33333 -","- C156 H110.04 N26 O50 -","6","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.0886","0.0696","","","0.1707","0.1835","","","","","","1.173","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4116278","12.3729","0.0004","12.3729","0.0004","12.3729","0.0004","79.96","","79.96","","79.96","","1816.23","0.1","223","2","223","2","","","","","","","","5","R -3 :R","-P 3*","148","","methylviologen lead(II) iodide","","- C12 H14 I6 N2 Pb2 -","- C12 H14 I6 N2 Pb2 -","- C36 H42 I18 N6 Pb6 -","3","0.5","","Zhongjia Tang; Arnold M. Guloy","A Methylviologen Lead(II) Iodide: Novel [PbI3-]∞Chains with Mixed Octahedral and Trigonal Prismatic Coordination","Journal of the American Chemical Society","1999","121","","452","453","10.1021/ja982702i","","","0.71073","MoKα","","0.0427","0.0377","","0.0988","0.0951","","","","1.174","1.185","1.185","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4120388","15.5832","0.0008","15.5832","0.0008","15.5832","0.0008","113.28","","113.28","","113.28","","2416.9","0.2","200","2","200","2","","","","","","","","4","R -3 :R","-P 3*","148","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C90 H114 N18 O24 -","6","1","","Jaeyune Ryu; Jaesung Kwak; Kwangmin Shin; Donggun Lee; Sukbok Chang","Ir(III)-Catalyzed Mild C-H Amidation of Arenes and Alkenes: An Efficient Usage of Acyl Azides as the Nitrogen Source","Journal of the American Chemical Society","2013","135","","12861","12868","10.1021/ja406383h","","","0.71073","MoKα","","0.0979","0.052","","","0.1416","0.1836","","","","","","0.925","","","","has coordinates","301834","2025-08-20","16:40:42",""
"4312885","17.275","0.005","17.275","0.005","17.275","0.005","99.268","0.004","99.268","0.004","99.268","0.004","4928","2","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C20 H19 N8 O9 Tb -","- C22 H19 N8 O9 Tb -","- C132 H114 N48 O54 Tb6 -","6","1","","Xiao-Ping Yang; Bei-Sheng Kang; Wai-Kwok Wong; Cheng-Yong Su; Han-Qin Liu","Syntheses, Crystal Structures, and Luminescent Properties of Lanthanide Complexes with Tripodal Ligands Bearing Benzimidazole and Pyridine Groups","Inorganic Chemistry","2003","42","","169","179","10.1021/ic025799p","","","0.71073","MoKα","","0.208","0.0726","","","0.1809","0.2713","","","","","","1.027","","","","has coordinates","179167","2020-10-21","18:00:00",""
"4317573","18.313","0.002","18.313","0.002","18.313","0.002","53.472","0.017","53.472","0.017","53.472","0.017","3679.3","1.2","200","2","200","2","","","","","","","","6","R -3 :R","-P 3*","148","","compound 1","","- C47 H59 Al4 F27 O22 Si3 -","- C46.93 H58.92 Al4 F27 O22 Si3 -","- C93.86 H117.84 Al8 F54 O44 Si6 -","2","0.333333","","Hagen Hatop; Marilena Ferbinteanu; Herbert W. Roesky; Fanica Cimpoesu; Marcus Schiefer; Hans-Georg Schmidt; Mathias Noltemeyer","Lightest Member of the Basic Carboxylate Structural Pattern: [Al3(μ3-O)(μ-O2CCF3)6(THF)3][(Me3Si)3CAl(O2CCF3)3].C7H8","Inorganic Chemistry","2002","41","","1022","1025","10.1021/ic010880y","","","0.71073","MoKα","","0.0889","0.0712","","","0.1918","0.2112","","","","","","1.013","","","","has coordinates,has disorder","179255","2020-10-21","18:00:00",""
"4319704","14.4133","0.0006","14.4133","0.0006","14.4133","0.0006","116.236","0.001","116.236","0.001","116.236","0.001","1469.76","0.15","213","2","213","2","","","","","","","","6","R -3 :R","-P 3*","148","N, N'-bis(3-aminopropyl)ethylenediaminenickel vanadate","N, N'-bis(3-aminopropyl)ethylenediaminenickel(II) divanadatetrihydrate","","- C8 H28 N4 Ni O9 V2 -","- C8 H12 N4 Ni O9.4 V2 -","- C24 H36 N12 Ni3 O28.2 V6 -","3","0.5","","Junghwan Do; Allan J. Jacobson","Nickel Vanadate Nanotubes: Synthesis and Crystal Structure of [Ni(C8H22N4)](VO3)2.3H2O","Inorganic Chemistry","2001","40","","2468","2469","10.1021/ic010078w","","","0.71073","MoKα","","0.0517","0.046","","0.1441","0.1323","","","","1.248","1.18","1.18","","","","","has coordinates","179277","2020-10-21","18:00:00",""
"4320295","10.612","0.002","10.612","0.002","10.612","0.002","63.3","0.02","63.3","0.02","63.3","0.02","906.8","0.4","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C30 H44 B2 N12 Sm -","- C30 H44 B2 N12 Sm -","- C30 H44 B2 N12 Sm -","1","0.166667","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.0317","0.0295","","0.0635","0.0628","","","","1.044","1.059","1.059","","","","","has coordinates","301838","2025-08-20","22:17:32",""
"4320296","10.51","0.003","10.51","0.003","10.51","0.003","63.52","0.02","63.52","0.02","63.52","0.02","884.8","0.5","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C30 H44 B2 N12 Yb -","- C30 H44 B2 N12 Yb -","- C30 H44 B2 N12 Yb -","1","0.166667","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.0369","0.036","","0.0797","0.079","","","","1.039","1.036","1.036","","","","","has coordinates","301838","2025-08-20","22:17:32",""
"4320297","10.581","0.0015","10.581","0.0015","10.581","0.0015","63.5","0.02","63.5","0.02","63.5","0.02","902.5","0.3","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C30 H44 B2 Eu N12 -","- C30 H44 B2 Eu N12 -","- C30 H44 B2 Eu N12 -","1","0.166667","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.024","0.024","","0.0605","0.0604","","","","1.121","1.121","1.121","","","","","has coordinates","301838","2025-08-20","22:17:32",""
"4322910","14.439","0.002","14.439","0.002","14.439","0.002","86.34","0.01","86.34","0.01","86.34","0.01","2992.6","0.7","188","2","188","2","","","","","","","synthesis","5","R -3 :R","-P 3*","148","","","","- C117 H159 Cl3 Mn7 O38 -","- C116.96 H102 Cl3 Mn7 O37.98 -","- C116.96 H102 Cl3 Mn7 O37.98 -","1","0.166667","","Gian Luca Abbati; Andrea Cornia; Antonio C. Fabretti; Andrea Caneschi; Dante Gatteschi","Structure and Magnetic Properties of a Mixed-Valence Heptanuclear Manganese Cluster","Inorganic Chemistry","1998","37","","3759","3766","10.1021/ic9800029","","","0.71073","MoKα","","0.069","0.0578","","0.188","0.1782","","","","1.096","1.144","1.144","","","","","has coordinates,has disorder","179332","2020-10-21","18:00:00",""
"4322912","14.576","0.001","14.576","0.001","14.576","0.002","85.773","0.01","85.773","0.01","85.773","0.01","3072.7","0.5","293","2","293","2","","","","","","","synthesis","5","R -3 :R","-P 3*","148","","","","- C109 H127 Cl3 Mn7 O30 -","- C109 H102 Cl3 Mn7 O30 -","- C109 H102 Cl3 Mn7 O30 -","1","0.166667","","Gian Luca Abbati; Andrea Cornia; Antonio C. Fabretti; Andrea Caneschi; Dante Gatteschi","Structure and Magnetic Properties of a Mixed-Valence Heptanuclear Manganese Cluster","Inorganic Chemistry","1998","37","","3759","3766","10.1021/ic9800029","","","0.71069","MoKα","","0.1332","0.0837","","0.2992","0.2518","","","","1.069","1.161","1.161","","","","","has coordinates","179332","2020-10-21","18:00:00",""
"4328767","17.1998","0.0007","17.1998","0.0007","17.1998","0.0007","97.14","","97.14","","97.14","","4958.9","0.3","100","2","100","2","","","","","","","","7","R -3 :R","-P 3*","148","neptunium 1,2-Phenyldiphosphonate cluster","","","- C72 H30 N32.11 Np12 O159 P24 Rb3.89 -","- C72 H48 N32.1 Np12 O159 P24 Rb3.9 -","- C72 H48 N32.1 Np12 O159 P24 Rb3.9 -","1","0.166667","","Juan Diwu; Shuao Wang; Thomas E. Albrecht-Schmitt","Periodic Trends in Hexanuclear Actinide Clusters","Inorganic Chemistry","2012","51","","4088","4093","10.1021/ic2023242","","","0.71073","MoKα","","0.0499","0.0368","","","0.1022","0.1106","","","","","","1.018","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328768","17.253","0.003","17.253","0.003","17.253","0.003","97.55","","97.55","","97.55","","4988.9","1.5","100","2","100","2","","","","","","","","7","R -3 :R","-P 3*","148","uranium 1,2-Phenyldiphosphonate cluster","","","- C36 H24 Cs4 N16 O79 P12 U6 -","- C36 H24 Cs4 N14.2 O80.8 P12 U6 -","- C72 H48 Cs8 N28.4 O161.6 P24 U12 -","2","0.333333","","Juan Diwu; Shuao Wang; Thomas E. Albrecht-Schmitt","Periodic Trends in Hexanuclear Actinide Clusters","Inorganic Chemistry","2012","51","","4088","4093","10.1021/ic2023242","","","0.71073","MoKα","","0.0627","0.0469","","","0.1249","0.1345","","","","","","1.02","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4334229","15.017","0.0009","15.017","0.0005","15.017","0.0014","61.366","0.006","61.366","0.006","61.366","0.005","2468.1","0.3","295","2","295","2","","","","","","","","8","R -3 :R","-P 3*","148","","","","- C60 H42 N12 O6 Os0 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","1","0.166667","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.71073","MoKα","","0.0729","0.0316","","","0.0484","0.0549","","","","","","1.067","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334230","14.9978","0.0008","14.9978","0.0006","14.9978","0.0006","61.178","0.004","61.178","0.004","61.178","0.003","2448.7","0.2","230","2","230","2","","","","","","","","8","R -3 :R","-P 3*","148","","","","- C60 H42 N12 O6 Os0 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","1","0.166667","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.71073","MoKα","","0.0615","0.0293","","","0.0426","0.0473","","","","","","1.091","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334232","15.0012","0.0001","15.0012","0.0001","15.0012","0.0001","61.409","0.001","61.409","0.001","61.409","0.001","2462.61","0.04","293","","293","","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","1","0.166667","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.6751","","","0.088","0.0774","","0.2286","0.2216","0.2286","","","","","","0.9547","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334233","14.8819","0.0001","14.8819","0.0001","14.8819","0.0001","61.078","0.001","61.078","0.001","61.078","0.001","2387.12","0.04","293","","293","","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se7.998 -","- C60 H42 N12 O6 Re6 S36 Se7.998 -","1","0.166667","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.6751","","","0.0755","0.0629","","0.1869","0.1794","0.1869","","","","","","0.9489","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338650","22.953","0.002","22.953","0.002","22.953","0.002","110.933","0.001","110.933","0.001","110.933","0.001","8769","1.3","298","2","298","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C120 H108 Cd6 Co3 N45 O53 -","- C120 H108 Cd6 Co3 N45 O53 -","- C240 H216 Cd12 Co6 N90 O106 -","2","0.333333","","Mishra, Anurag; Ali, Afsar; Upreti, Shailesh; Whittingham, M. Stanley; Gupta, Rajeev","Cobalt Complex as Building Blocks: Synthesis, Characterization, and Catalytic Applications of {Cd2±-Co3±-Cd2+} and {Hg2±-Co3±-Hg2+} Heterobimetallic Complexes","Inorganic chemistry","2009","48","12","5234","5243","10.1021/ic900223f","","","0.71073","MoKα","","0.0781","0.0531","","","0.1754","0.1956","","","","","","1.159","","","","has coordinates,has disorder","209988","2020-10-21","18:00:00",""
"4343593","6.7407","","6.7407","","6.7407","","88.83","","88.83","","88.83","","306.088","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Ce0.82 Mo6 Se8 -","- Ce0.814 Mo6 Se8 -","- Ce0.814 Mo6 Se8 -","1","0.166667","","le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A.","Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K","Inorganic Chemistry","2000","39","","1100","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343594","6.7473","","6.7473","","6.7473","","88.69","","88.69","","88.69","","306.941","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Ce0.92 Mo6 Se8 -","- Ce0.924 Mo6 Se8 -","- Ce0.924 Mo6 Se8 -","1","0.166667","","le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A.","Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K","Inorganic Chemistry","2000","39","","1100","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343595","6.7385","","6.7385","","6.7385","","88.81","","88.81","","88.81","","305.782","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Pr0.86 Mo6 Se8","","- Mo6 Pr0.86 Se8 -","- Mo6 Pr0.861 Se8 -","- Mo6 Pr0.861 Se8 -","1","0.166667","","le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A.","Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K","Inorganic Chemistry","2000","39","","1100","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343596","6.7286","","6.7286","","6.7286","","88.85","","88.85","","88.85","","304.449","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Nd0.85 Mo6 Se8","","- Mo6 Nd0.85 Se8 -","- Mo6 Nd0.847 Se8 -","- Mo6 Nd0.847 Se8 -","1","0.166667","","le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A.","Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K","Inorganic Chemistry","2000","39","","1100","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343597","6.7182","","6.7182","","6.7182","","88.956","","88.956","","88.956","","303.071","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Sm0.87 Mo6 Se8","","- Mo6 Se8 Sm0.87 -","- Mo6 Se8 Sm0.871 -","- Mo6 Se8 Sm0.871 -","1","0.166667","","le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A.","Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K","Inorganic Chemistry","2000","39","","1100","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4350720","14.523","0.002","14.523","0.002","14.523","0.002","84.35","0.01","84.35","0.01","84.35","0.01","3021.3","0.7","298","2","298","2","","","","","","","synthesis","8","R -3 :R","-P 3*","148","","","","- C111.5 H138.5 Cl1.5 F6 Fe6 Li O33 P -","- C111 H102 Cl1.5 F6 Fe6 Li O33 P -","- C111 H102 Cl1.5 F6 Fe6 Li O33 P -","1","0.166667","","Abbati, Gian Luca; Cornia, Andrea; Fabretti, Antonio C.; Malavasi, Wanda; Schenetti, Luisa; Caneschi, Andrea; Gatteschi, Dante","Modulated Magnetic Coupling in Alkoxoiron(III) Rings by Host−Guest Interactions with Alkali Metal Cations","Inorganic Chemistry","1997","36","27","6443","","10.1021/ic970637s","","","0.71069","MoKα","","0.1382","0.0733","","0.253","0.193","","","","1.042","1.245","1.245","","","","","has coordinates,has disorder","239996","2020-10-21","18:00:00",""
"4503065","17.6984","0.0014","17.6984","0.0014","17.6984","0.0014","116.66","","116.66","","116.66","","2572.6","0.4","293","2","293","2","","","","","","","Chemical synthesis","7","R -3 :R","-P 3*","148","","","","- C10 H12 Ag F3 N4 O3 S -","- C10 H12 Ag F3 N4 O3 S -","- C60 H72 Ag6 F18 N24 O18 S6 -","6","1","","Jin, Chuan-Ming; Wu, Ling-Yan; Lu, Huang; Xu, Yan","Two Distinct Supramolecular Motifs from Bis(2-methylimidazo-1-yl) Methane: An Infinite [n]Catenane and A Discrete M6 Metal-Organic Framework","Crystal Growth & Design","2008","8","1","215","","10.1021/cg070143y","","","0.71073","MoKα","","0.0766","0.0628","","","0.2024","0.2152","","","","","","1.123","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4504089","16.931","0.004","16.931","0.004","16.931","0.004","95.34","0.004","95.34","0.004","95.34","0.004","4786","2","298","2","298","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C28 H29.67 N11 O7.33 Zn -","- C28 H29.67 N11 O7.33333 Zn -","- C168 H178.02 N66 O44 Zn6 -","6","1","","Chi, Yingnan; Huang, Kunlin; Zhang, Shaowen; Cui, Fengyun; Xu, Yanqing; Hu, Changwen","Self-Assembly of a CsCl-like 3D Supramolecular Network from [Zn6(HL)6(H2L)6]6+Metallamacrocycles and (H2O)20Clusters (H2L = 4-(2-Pyridyl)-6-(4-pyridyl)-2-aminopyrimidine)","Crystal Growth & Design","2007","7","12","2449","","10.1021/cg0607809","","","0.71073","MoKα","","0.2774","0.0778","","","0.1751","0.283","","","","","","0.953","","","","has coordinates","198633","2020-10-21","18:00:00",""
"5910000","5.54","","5.54","","5.54","","54.65","","54.65","","54.65","","104.499","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Magnesium titanate","","- Mg O3 Ti -","- Mg2 O6 Ti2 -","- Mg2 O6 Ti2 -","","","","Wyckoff, R. W. G.","Pages 55 & 61 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold Publishing Corporation, INC,Camden,N. J. in 1935","The second edition supplement of The Structure of Crystals","1935","","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","203331","2020-10-21","18:00:00",""
"7003611","15.6343","0.0018","15.6343","0.0018","15.6343","0.0018","97.049","0.017","97.049","0.017","97.049","0.017","3727","0.8","149","2","149","2","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C78 H210 Ag Ge18 Li O6 Si24 -","- C78 H210 Ag Ge18 Li O6 Si24 -","- C78 H210 Ag Ge18 Li O6 Si24 -","1","0.166667","","Schenk, Christian; Henke, Florian; Santiso-Quiñones, Gustavo; Krossing, Ingo; Schnepf, Andreas","[Si(SiMe3)3]6Ge18M (M = Cu, Ag, Au): metalloid cluster compounds as unusual building blocks for a supramolecular chemistry","Dalton Transactions","2008","","33","4436","4441","10.1039/b717506j","","","0.71073","MoKα","","0.0461","0.0348","","","0.0838","0.0882","","","","","","1.038","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003612","15.6548","0.0018","15.6548","0.0018","15.6548","0.0018","97.309","0.017","97.309","0.017","97.309","0.017","3734.2","0.8","149","2","149","2","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C78 H210 Cu Ge18 Li O6 Si24 -","- C78 H210 Cu Ge18 Li O6 Si24 -","- C78 H210 Cu Ge18 Li O6 Si24 -","1","0.166667","","Schenk, Christian; Henke, Florian; Santiso-Quiñones, Gustavo; Krossing, Ingo; Schnepf, Andreas","[Si(SiMe3)3]6Ge18M (M = Cu, Ag, Au): metalloid cluster compounds as unusual building blocks for a supramolecular chemistry","Dalton Transactions","2008","","33","4436","4441","10.1039/b717506j","","","0.71073","MoKα","","0.071","0.0403","","","0.0782","0.0869","","","","","","0.963","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7009121","8.3292","0.0005","8.3292","0.0005","8.3292","0.0005","77.833","0.007","77.833","0.007","77.833","0.007","543.74","0.06","293","2","293","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C12 H24.6 Mo2 N2 O0.3 S7 -","- C12 H24 Mo2 N2 O0.3 S7 -","- C12 H24 Mo2 N2 O0.3 S7 -","1","0.166667","","Davies, Sian C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger","Molybdenum and tungsten complexes of the N(CH2CH2S)33− (NS3) ligand with oxide, sulfide, diazenide, hydrazide and nitrosyl co-ligands","Journal of the Chemical Society, Dalton Transactions","2000","","5","719","","10.1039/a908777j","","","0.71069","MoKα","","0.0276","0.0242","","0.0741","0.0723","","","","1.147","1.187","1.187","","","","","has coordinates","179795","2020-10-21","18:00:00",""
"7010804","20.022","0.004","20.022","0.004","20.022","0.004","90.73","0.02","90.73","0.02","90.73","0.02","8024","3","273.2","","273.2","","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C56 H54 Cl2 N6 O2.2 P2.33 Ru -","- C55.6 H44 Cl2 N6 O2.06367 P2.11133 Ru -","- C333.6 H264 Cl12 N36 O12.382 P12.668 Ru6 -","6","1","","Field, Leslie D.; Messerle, Barbara A.; Soler, Linnea; Buys, Irmi E.; Hambley, Trevor W.","Polypyrazolylmethane complexes of ruthenium","Journal of the Chemical Society, Dalton Transactions","2001","","13","1959","1965","10.1039/b103939n","","","0.7107","MoKα","","0.0873","0.0476","","0.0544","","0.0514","","","1.861","","","2.172","","","","has coordinates","205778","2020-10-21","18:00:00",""
"7011606","13.5818","0.0008","13.5818","0.0008","13.5818","0.0008","46.194","0.002","46.194","0.002","46.194","0.002","1190.71","0.13","200","","200","","","","","","","","","6","R -3 :R","-P 3*","148","","[Zn(L)2](ClO4)2 (1)","","- C42 H48 Cl2 N12 O8 Zn -","- C42 H48 Cl2 N12 O8 Zn -","- C42 H48 Cl2 N12 O8 Zn -","1","0.166667","","Fan, Jian; Sui, Bin; Okamura, Taka-aki; Sun, Wei-Yin; Tang, Wen-Xia; Ueyama, Norikazu","Synthesis, structures and properties of two-dimensional honeycomb and stepwise networks from self-assembly of tripodal ligand 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene with metal salts","Journal of the Chemical Society, Dalton Transactions","2002","","20","3868","3873","10.1039/b202138b","","","0.71069","MoKα","","0.0818","0.0481","","","0.1071","0.1126","","","","","","0.979","","","","has coordinates","297182","2025-01-07","15:35:14",""
"7015112","12.8515","0.0015","12.8515","0.0015","12.8515","0.0015","61.399","0.017","61.399","0.017","61.399","0.017","1548","0.5","150","2","150","2","","","","","","","","8","R -3 :R","-P 3*","148","","","","- C15 H30 Cu3 I N6 O S6 W -","- C15 H30 Cu3 I N6 O S6 W -","- C30 H60 Cu6 I2 N12 O2 S12 W2 -","2","0.333333","","Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca","Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2815","2821","10.1039/c0dt01195a","","","0.71073","MoKα","","0.0738","0.0655","","","0.1625","0.1713","","","","","","1.101","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7017243","21.0255","0.0007","21.0255","0.0007","21.0255","0.0007","69.14","","69.14","","69.14","","7831.4","0.5","173","2","173","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C37.25 H31.38 Cl3 N0.13 S6 Sb2 -","- C37 H31 Cl3 S6 Sb2 -","- C296 H248 Cl24 S48 Sb16 -","8","1.33333","","Fontenot, Sean A.; Cangelosi, Virginia M.; Pitt, Melanie A. W.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W.","Design, synthesis and characterization of self-assembled As(2)L(3) and Sb(2)L(3) cryptands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12125","12131","10.1039/c1dt10817d","","","0.71073","MoKα","","0.081","0.0633","","","0.1789","0.1886","","","","","","1.37","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017661","18.327","0.002","18.327","0.002","18.327","0.002","116.627","0.017","116.627","0.017","116.627","0.017","2870","4","173","2","173","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C19 H18 N2 S Si Te -","- C19 H18 N2 S Si Te -","- C114 H108 N12 S6 Si6 Te6 -","6","1","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0574","0.0471","","","0.0946","0.0987","","","","","","1.068","","","","has coordinates,has disorder","301847","2025-08-21","11:39:36",""
"7022863","22.469","0.007","22.469","0.007","22.469","0.007","115.655","0.006","115.655","0.006","115.655","0.006","5952","4","150","2","150","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C52 H79 Cl3 N2 O3 Pd -","- C33 H36 N2 O3 Pd -","- C198 H216 N12 O18 Pd6 -","6","1","","Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.","From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7710","7723","10.1039/c3dt50176k","","","0.71073","MoKα","","0.1881","0.0781","","","0.1533","0.1769","","","","","","0.819","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7027802","25.113","0.002","25.113","0.002","25.113","0.003","118.39","0.02","118.39","0.02","118.39","0.02","5176","18","298","","298","","","","","","","","","9","R -3 :R","-P 3*","148","","","","- C30 H30 Cl Fe N O6 P2 Pd Si -","- C30 H30 Cl Fe N O6 P2 Pd Si -","- C180 H180 Cl6 Fe6 N6 O36 P12 Pd6 Si6 -","6","1","","Braunstein, Pierre; Durand, Jérôme; Kickelbick, Guido; Knorr, Michael; Morise, Xavier; Pugin, Raphael; Tiripicchio, Antonio; Ugozzoli, Franco","Hydrocarbyl derivatives of dppm- or dppa-bridged alkoxysilyl heterobimetallic Fe‒Pd complexes and CO insertion reactions. Crystal structures of [(OC)3{(MeO)3Si}Fe(μ-dppm)Pd(8-mq)] (dppm = Ph2PCH2PPh2), [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdCl] and [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdPh] (dppa = Ph2PNHPPh2) †","Journal of the Chemical Society, Dalton Transactions","1999","","23","4175","","10.1039/a907425b","","","0.71073","MoKα","","0.1309","0.0316","","0.1271","0.0629","","","","1.389","0.899","0.899","","","","","has coordinates","211902","2020-10-21","18:00:00",""
"7029900","18.865","0.002","18.865","0.002","18.865","0.002","117.22","0.017","117.22","0.017","117.22","0.017","2856","5","153","2","153","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C69 H60 N3 O9 Tb -","- C69 H60 N3 O9 Tb -","- C138 H120 N6 O18 Tb2 -","2","0.333333","","Raphael, Shyni; Reddy, M. L. P.; Vasudevan, Kalyan V.; Cowley, Alan H.","Synthesis, crystal structure and photophysical properties of lanthanide coordination polymers of 4-[4-(9H-carbazol-9-yl)butoxy]benzoate: the effect of bidentate nitrogen donors on luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14671","14682","10.1039/c2dt31827j","","","0.71073","MoKα","","0.0951","0.0431","","","0.0673","0.0796","","","","","","1.055","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7030482","15.8718","0.0002","15.8718","0.0002","15.8718","0.0002","106.639","0.001","106.639","0.001","106.639","0.001","3362.1","0.09","293","2","293","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C22 H29.08 Cl Cu N2 O1.04 -","- C22 H29 Cl Cu N2 O1.04167 -","- C132 H174 Cl6 Cu6 N12 O6.25 -","6","1","","Barwiolek, Magdalena; Szlyk, Edward; Berg, Andrzej; Wojtczak, Andrzej; Muziol, Tadeusz; Jezierska, Julia","Structural studies of copper(ii) complexes with 2-(2-aminoethyl)pyridine derived Schiff bases and application as precursors of thin organic-inorganic layers.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9924","9933","10.1039/c4dt00654b","","x-ray","0.71073","MoKα","","0.0548","0.0381","","","0.106","0.1103","","","","","","1","","","","has coordinates,has disorder","180010","2020-10-21","18:00:00",""
"7033000","17.2078","0.0005","17.2078","0.0005","17.2078","0.0005","60.523","0.001","60.523","0.001","60.523","0.001","3645.55","0.19","120","2","120","2","","","","","","","","5","R -3 :R","-P 3*","148","(MeClamp)Mo . 3 C6H6","κ7-[Tris(2-(3,5-di-tert-butyl-2-oxyphenyl)amido-4-methylphenyl)amino]molybdenum(VI) tribenzene solvate","","- C81 H96 Mo N4 O3 -","- C81 H96 Mo N4 O3 -","- C162 H192 Mo2 N8 O6 -","2","0.333333","","Marshall-Roth, Travis; Brown, Seth N.","Redox activity and π bonding in a tripodal seven-coordinate molybdenum(VI) tris(amidophenolate).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","677","685","10.1039/c4dt02936d","","","0.71073","MoKα","","0.036","0.0308","","","0.0826","0.0874","","","","","","0.969","","","","has coordinates","301849","2025-08-21","13:35:12",""
"7043180","20.83","0.005","20.83","0.005","20.83","0.005","106.55","0.03","106.55","0.03","106.55","0.03","7617","5","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C192 H248.6 Ce21 N21 O118.8 -","- C192 H231 Ce21 N21 O118.8 -","- C192 H231 Ce21 N21 O118.8 -","1","0.166667","","Canaj, Angelos; Siczek, Milosz; Lis, Tadeusz; Murrie, Mark; Brechin, Euan K.; Milios, Constantinos J.","A [Ce21] Keplerate","Dalton Trans.","2017","","","","","10.1039/C7DT01883E","","","0.71073","MoKα","","0.1311","0.0679","","","0.1607","0.1983","","","","","","1.105","","","","has coordinates,has disorder","197124","2020-10-21","18:00:00",""
"7050538","18.949","0.002","18.949","0.002","18.949","0.002","117.25","0.02","117.25","0.02","117.25","0.02","2879","6","","","293","2","","","","","","","","4","R -3 :R","-P 3*","148","N-(2'-Methylphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12- dicarboximide","N-(2'-Methylphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C150 H114 N6 O12 -","6","1","","Gisbert Grossmann; Marek J. Potrzebowski; Sebastian Olejniczak; Natasza E. Ziółkowska; Grzegorz D. Bujacz; Wlodzimierz Ciesielski; Wiktor Prezdo; Valerii Nazarov; Vladislav Golovko","Structural studies of N-(2'-substituted phenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximides by X-ray diffraction and NMR spectroscopy—proofs for CH/π interactions in liquid and solid phases","New J. Chem.","2003","27","7","1095","1101","10.1039/b300759f","","","1.54178","CuKα","","0.0486","0.0436","","0.1172","","0.1124","","","","","","1.122","","","","has coordinates,has disorder","180059","2020-10-21","18:00:00",""
"7051019","8.892","0.001","8.892","0.001","8.892","0.001","65.63","0.017","65.63","0.017","65.63","0.017","557.92","0.15","293","2","293","2","","","","","","","","6","R -3 :R","-P 3*","148","K[Re6Se5Cl9](H2O)2","potassium penta-μ~eq~3-seleno-tri-μ~eq~3-chloro- hexachloro-octahedro-hexarhenate(III) dihydrate","","- Cl9 H4 K O2 Re6 Se5 -","- Cl8.9 K O2 Re6 Se5.078 -","- Cl8.9 K O2 Re6 Se5.078 -","1","0.166667","","Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin","Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8]","New J. Chem.","2001","25","5","737","740","10.1039/b005231k","","","0.71073","MoKα","","0.0577","0.0401","","","0.0489","0.0558","","","","","","0.872","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052044","16.2836","0.0011","16.2836","0.0011","16.2836","0.0011","109.604","0.007","109.604","0.007","109.604","0.007","3307.3","0.6","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C40 H72 Cl2 O4 Yb2 -","- C40 H72 Cl2 O4 Yb2 -","- C120 H216 Cl6 O12 Yb6 -","3","0.5","","Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann","Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions","New Journal of Chemistry","2007","31","2","305","","10.1039/b603701a","","","0.71073","MoKα","","0.0483","0.0422","","","0.0842","0.0871","","","","","","1.114","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053784","21.5048","0.0009","21.5048","0.0009","21.5048","0.0009","91.042","0.011","91.042","0.011","91.042","0.011","9940","0.7","100","2","100","2","","","","","","","","3","R -3 :R","-P 3*","148","","","","- C64 H102 O17 -","- C64 H96 O17 -","- C384 H576 O102 -","6","1","","Kulikov, Oleg V.; Rath, Nigam P.; Zhou, Dan; Carasel, I. Alexandru; Gokel, George W.","Guest molecule entrapment by both capsule and hydrocarbon sidechains in self-assembled pyrogallol[4]arenes","New Journal of Chemistry","2009","33","7","1563","","10.1039/b823160e","","","0.71073","MoKα","","0.4117","0.1649","","","0.4189","0.5605","","","","","","1.458","","","","has coordinates,has disorder","180091","2020-10-21","18:00:00",""
"7054241","18.949","0.002","18.949","0.002","18.949","0.002","117.25","0.02","117.25","0.02","117.25","0.02","2879","6","","","293","2","","","","","","","","4","R -3 :R","-P 3*","148","N-(2'-Methylphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12- dicarboximide","N-(2'-Methylphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C150 H114 N6 O12 -","6","1","","Seisenbaeva, Gulaim A.; Gohil, Suresh; Jansson, Kjell; Herbst, Konrad; Brorson, Michael; Kessler, Vadim G.","Solution interaction of O-donor ligand metal complexes with thiocarbonyl compounds?a new general route to metal sulfide materials","New Journal of Chemistry","2003","27","7","1059","","10.1039/b300398c","","","1.54178","CuKα","","0.0486","0.0436","","0.1172","","0.1124","","","","","","1.122","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7104061","19.175","0.002","19.175","0.002","19.175","0.002","106.039","0.017","106.039","0.017","106.039","0.017","6019.1","1.2","123","2","123","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C198 H290 N12 O86 P12 -","- C33 H41.5 N2 O14.3333 P2 -","- C198 H249 N12 O86 P12 -","6","1","","Coleman, Anthony W.; Silva, Eric Da; Nouar, Farid; Nierlich, Martine; Navaza, Alda","The structure of a self-assembled calixarene aqua-channel system","Chemical Communications (Cambridge, United Kingdom)","2003","","7","826","827","10.1039/b301460f","","","0.71073","MoKα","","0.1897","0.0862","","","0.2072","0.2654","","","","","","0.968","","","","has coordinates","210521","2020-10-21","18:00:00",""
"7204583","14.2727","0.0016","14.2727","0.0016","14.2727","0.0016","88.309","0.017","88.309","0.017","88.309","0.017","2903.8","0.6","301","2","301","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C44 H8.67 F20 N4 O0.33 Pt -","- C44 H8 F20 N4 O0.333333 Pt -","- C132 H24 F60 N12 O Pt3 -","3","0.5","","Che, Chi-Ming; Hou, Yuan-Jun; Chan, Michael C. W.; Guo, Jianhua; Liu, Yu; Wang, Yue","[meso-Tetrakis(pentafluorophenyl)porphyrinato]platinum(II) as an efficient, oxidation-resistant red phosphor: spectroscopic properties and applications in organic light-emitting diodes","Journal of Materials Chemistry","2003","13","6","1362","1366","10.1039/b212204a","","","0.71073","MoKα","","0.0466","0.0336","","","0.0848","0.0989","","","","","","0.994","","","","has coordinates","297179","2025-01-07","15:13:37",""
"7206325","13.175","0.004","13.175","0.004","13.175","0.004","104","","104","","104","","2040.5","1.1","296","2","296","2","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C12 H66 As2 N12 O72 W18 Zn6 -","- C12 H54 As2 N12 O72 W18 Zn6 -","- C12 H54 As2 N12 O72 W18 Zn6 -","1","0.166667","","Niu, Jing-Yang; Ma, Xiang; Zhao, Jun-Wei; Ma, Peng-Tao; Zhang, Chao; Wang, Jing-Ping","A novel organic‒inorganic hybrid turbine-shaped hexa-Zn sandwiched tungstoarsenate(iii)","CrystEngComm","2011","13","15","4834","","10.1039/c1ce05358b","","","0.71073","MoKα","","0.0557","0.0405","","","0.0997","0.1069","","","","","","1.072","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7234492","11.0988","0.0009","11.0988","0.0009","11.0988","0.0009","102.058","0.0004","102.058","0.0004","102.058","0.0004","1261.12","0.18","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Br14)Br]","","","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0258","0.0203","","","0.0395","0.0409","","","","","","1.013","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234493","11.1579","0.0005","11.1579","0.0005","11.1579","0.0005","101.8","0.001","101.8","0.001","101.8","0.001","1286.32","0.1","298","2","298","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Br14)Br]","","","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0382","0.0252","","","0.0454","0.0488","","","","","","1.026","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234495","10.8505","0.0005","10.8505","0.0005","10.8505","0.0005","102.632","0.0002","102.632","0.0002","102.632","0.0002","1167.76","0.09","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Cl14)Cl]","","","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0145","0.0132","","","0.0295","0.0299","","","","","","1.086","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234496","10.908","0.0007","10.908","0.0007","10.908","0.0007","102.348","0.0003","102.348","0.0003","102.348","0.0003","1191.82","0.13","300","2","300","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Cl14)Cl]","","","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0239","0.018","","","0.0343","0.0363","","","","","","1.094","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234497","10.8797","0.0005","10.8797","0.0005","10.8797","0.0005","101.159","0.001","101.159","0.001","101.159","0.001","1203.35","0.1","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","(TTF)3[(Mo6B14)Br]","","","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0259","0.0214","","","0.0459","0.0476","","","","","","1.033","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234498","10.9429","0.0005","10.9429","0.0005","10.9429","0.0005","100.915","0.001","100.915","0.001","100.915","0.001","1228.45","0.1","300","2","300","2","","","","","","","","5","R -3 :R","-P 3*","148","(TTF)3[(Mo6B14)Br]","","","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0417","0.0276","","","0.0524","0.0586","","","","","","1.066","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7705397","21.012","0.002","21.012","0.002","21.012","0.002","115.759","0.017","115.759","0.017","115.759","0.017","4814","5","200","","200","","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C36.16 H38.32 Cl0.32 Cu N2 O4 -","- C36.1577 H38.316 Cl0.315 Cu N2 O4 -","- C216.946 H229.896 Cl1.89 Cu6 N12 O24 -","6","1","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.1152","0.0562","","","0.1054","0.1343","","","","","","1.093","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"9000195","11.769","","11.769","","11.769","","106.5","","106.5","","106.5","","1375.67","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","","Loweite","- H36 Mg7 Na12 O67 S13 -","- H30 Mg7 Na12 O67 S13 -","- H30 Mg7 Na12 O67 S13 -","1","0.166667","","Fang, J. H.; Robinson, P. D.","Crystal structures and mineral chemistry of double-salt hydrates: II. The crystal structure of loeweite","American Mineralogist","1970","55","","378","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:07",""
"9000524","9.148","","9.148","","9.148","","69.078","","69.078","","69.078","","644.398","","","","","","","","","","","","","8","R -3 :R","-P 3*","148","","","Crichtonite","- Ce0.05 Fe6.698 La0.05 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.602 -","- Ce0.05 Fe6.698 La0.05 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.602 -","- Ce0.05 Fe6.698 La0.05 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.602 -","1","0.166667","","Grey, I. E.; Lloyd, D. J.; White, J. S.","The structure of crichtonite and its relationship to senaite","American Mineralogist","1976","61","","1203","1212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000598","9.117","","9.117","","9.117","","69.07","","69.07","","69.07","","637.788","","","","","","","","","","","","","11","R -3 :R","-P 3*","148","","","Loveringite","- Al0.384 Ca0.72 Cr2.238 Fe3.43 La0.33 Mg0.92 O38 Ti12.474 U0.05 V0.21 Zr0.58 -","- Al0.384 Ca0.72 Cr2.238 Fe3.43 La0.33 Mg0.92 O38 Ti12.474 U0.05 V0.21 Zr0.58 -","- Al0.384 Ca0.72 Cr2.238 Fe3.43 La0.33 Mg0.92 O38 Ti12.474 U0.05 V0.21 Zr0.58 -","1","0.166667","","Gatehouse, B. M.; Grey, I. E.; Campbell, I. H.; Kelly, P. R.","The crystal structure of loveringite - a new member of the crichtonite group","American Mineralogist","1978","63","","28","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:09",""
"9000736","9.19","","9.19","","9.19","","68.73","","68.73","","68.73","","649.693","","","","","","","","","","","","Pandora Prospect, Quijotoa Mts., Pima County, Arizona, USA","10","R -3 :R","-P 3*","148","","","Davidite-(La)","- Ca0.2 Cr0.21 Fe6.152 La0.91 Mg0.24 O38 Sr0.09 Ti12.672 U0.33 Y0.3 -","- Ca0.2 Cr0.21 Fe6.152 La0.91 Mg0.24 O38 Sr0.09 Ti12.672 U0.33 Y0.3 -","- Ca0.2 Cr0.21 Fe6.152 La0.91 Mg0.24 O38 Sr0.09 Ti12.672 U0.33 Y0.3 -","1","0.166667","","Gatehouse, B. M.; Grey, I. E.; Kelly, P. R.","The crystal structure of davidite","American Mineralogist","1979","64","","1010","1017","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9001873","9.197","","9.197","","9.197","","68.75","","68.75","","68.75","","651.388","","","","","","","","","","","","","11","R -3 :R","-P 3*","148","","","Dessauite-(Y)","- Ba0.12 Ce0.06 Fe8.06 La0.12 Mn0.12 O38 Pb0.24 Sr0.42 Ti12.66 U0.3 Y0.3 -","- Ba0.12 Ce0.06 Fe8.06 La0.12 Mn0.12 O38 Pb0.24 Sr0.42 Ti12.66 U0.3 Y0.3 -","- Ba0.12 Ce0.06 Fe8.06 La0.12 Mn0.12 O38 Pb0.24 Sr0.42 Ti12.66 U0.3 Y0.3 -","1","0.166667","","Orlandi, P.; Pasero, M.; Duchi, G.; Olmi, F.","Dessauite, (Sr,Pb)(Y,U)(Ti,Fe)20O38, a new mineral of the crichtonite group from Buca della Vena mine, Tuscany, Italy","American Mineralogist","1997","82","","807","811","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001948","7.18","","7.18","","7.18","","87.26","","87.26","","87.26","","368.916","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Na8 O18 Si7 -","- Na8 O18 Si7 -","- Na8 O18 Si7 -","1","0.166667","","Fleet, M. E.","Sodium heptasilicate: A high-pressure silicate with six-membered rings of tetrahedra interconnected by SiO6 octahedra: (Na8Si[Si6O18])","American Mineralogist","1998","83","","618","624","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9004125","9.152","","9.152","","9.152","","68.99","","68.99","","68.99","","644.342","","","","","","","","","","","","","8","R -3 :R","-P 3*","148","","","Landauite","- Fe2.16 K0.15 Mn Na0.7 O38 Pb0.15 Ti15.84 Zn2 -","- Fe2.16 K0.15 Mn Na0.7 O38 Pb0.15 Ti15.84 Zn2 -","- Fe2.16 K0.15 Mn Na0.7 O38 Pb0.15 Ti15.84 Zn2 -","1","0.166667","","Grey, I. E.; Gatehouse, B. M.","The crystal structure of landauite, Na[MnZn2(Ti,Fe)6Ti12]O38","The Canadian Mineralogist","1978","16","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9005642","9.186","","9.186","","9.186","","68.82","","68.82","","68.82","","649.784","","","","","","","","","","","","the gneiss of the Hercynian Massif of Argentera at Sambuco, Italy","9","R -3 :R","-P 3*","148","","","Gramaccioliite-(Y)","- Ce0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48 -","- Ce0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48 -","- Ce0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48 -","1","0.166667","","Orlandi, P.; Pasero, M.; Rotiroti, N.; Olmi, F.; Demartin, F.; Moelo, Y.","Gramaccioliite-(Y), a new mineral of the crichtonite group from Stura Valley, Piedmont, Italy Locality: the gneiss of the Hercynian Massif of Argentera at Sambuco, Italy","European Journal of Mineralogy","2004","16","","171","175","10.1127/0935-1221/2004/0016-0171","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007057","8.819","","8.819","","8.819","","111.7","","111.7","","111.7","","479.521","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","","Dioptase","- Cu H2 O4 Si -","- Cu H2 O4 Si -","- Cu6 H12 O24 Si6 -","6","1","","Belokoneva, E. L.; Gubina, Y. K.; Forsyth, J. B.; Brown, P. J.","The charge-density distribution, its multipole refinement and the antiferromagnetic structure of dioptase, Cu6[Si6O18].6H2O","Physics and Chemistry of Minerals","2002","29","","430","438","10.1007/s00269-002-0246-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007734","6.5378","","6.5378","","6.5378","","88.809","","88.809","","88.809","","279.265","","","","112","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Eu Mo6 S8 -","- Eu Mo6 S8 -","- Eu Mo6 S8 -","1","0.166667","","Kubel, F.; Yvon, K.","Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 112 K","Acta Crystallographica, Section C","1990","46","","181","186","10.1107/S0108270189005913","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007736","6.6441","","6.6441","","6.6441","","88.562","","88.562","","88.562","","293.025","","","","177","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Ba Mo6 S8 -","- Ba Mo6 S8 -","- Ba Mo6 S8 -","1","0.166667","","Kubel, F.; Yvon, K.","Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 177 K","Acta Crystallographica, Section C","1990","46","","181","186","10.1107/S0108270189005913","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008043","10.33","","10.33","","10.33","","24.17","","24.17","","24.17","","162.41","","","","","","","","","","","","Hungary","3","R -3 :R","-P 3*","148","","","Tetradymite","- Bi2 S Te2 -","- Bi2 S Te2 -","- Bi2 S Te2 -","1","0.166667","","Harker, D.","The crystal structure of the mineral tetradymite, Bi2Te2S","Zeitschrift fur Kristallographie","1934","89","","175","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008098","8.269","","8.269","","8.269","","51.683","","51.683","","51.685","","321.561","","","","","","","","","","","","","2","R -3 :R","-P 3*","148","","","","- As I3 -","- As I3 -","- As2 I6 -","2","0.333333","","Trotter, J.","The crystal structure of arsenic triiodide, AsI3","Zeitschrift fur Kristallographie","1965","121","","81","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008145","5.9648","","5.9648","","5.9648","","90.73","","90.73","","90.73","","212.169","","","","","","","","","","","","","2","R -3 :R","-P 3*","148","","","","- Rh3 Se8 -","- Rh3 Se8 -","- Rh3 Se8 -","1","0.166667","","Hohnke, D.; Parthe, E.","The crystal structure of pyrite-related Rh3Se8","Zeitschrift fur Kristallographie","1968","127","","164","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009770","6.132","","6.132","","6.132","","59.34","","59.34","","59.34","","160.589","","","","12","","","","","","","","Synthetic","2","R -3 :R","-P 3*","148","","","Wuestite","- Fe O -","- Fe O -","- Fe8 O8 -","8","1.33333","","Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C.","On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Note: low-temperature polymorph Sample: Three-Phase Mixture FeO, T = 12 K","Journal of Solid State Chemistry","1996","124","","52","57","10.1006/jssc.1996.0206","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009771","6.073","","6.073","","6.073","","59.92","","59.92","","59.92","","158.091","","","","12","","","","","","","","Synthetic","2","R -3 :R","-P 3*","148","","","Wuestite","- Fe0.925 O -","- Fe0.925 O -","- Fe7.4 O8 -","8","1.33333","","Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C.","On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Note: low-temperature polymorph Sample: Single-Phase Fe0.925O, T = 12 K","Journal of Solid State Chemistry","1996","124","","52","57","10.1006/jssc.1996.0206","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009955","11.909","","11.909","","11.909","","109.51","","109.51","","109.51","","1298.31","","","","","","","","","","","","Synthetic","5","R -3 :R","-P 3*","148","","","Analcime","- Al2 H4 Na1.862 O13.667 Si4 -","- Al1.99998 H3.33333 Na1.8615 O13.6667 Si4.00002 -","- Al7.99992 H13.3333 Na7.446 O54.6667 Si16.0001 -","4","0.666667","","Yokomori, Y.; Idaka, S.","The crystal structure of analcime","Microporous and Mesoporous Materials","1998","21","","365","370","10.1016/S1387-1811(98)00019-5","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010496","9.411","","9.411","","9.411","","91.48","","91.48","","91.48","","832.654","","","","423","","","","","","","","Mayen, Eifel district, Germany","5","R -3 :R","-P 3*","148","","","Willhendersonite","- Al6 Ca1.617 K1.842 O24 Si6 -","- Al6 Ca1.617 K1.842 O24 Si6 -","- Al6 Ca1.617 K1.842 O24 Si6 -","1","0.166667","","Fischer, R. X.; Kahlenberg, V.; Lengauer, C. L.; Tillmanns, E.","Thermal behavior and structural transformation in the chabazite-type zeolite willhendersonite, KCaAl3Si3O12*5H2O Note: T = 423K","American Mineralogist","2008","93","","1317","1325","10.2138/am.2008.2745","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011164","9.172","","9.172","","9.172","","69.02","","69.02","","69.02","","648.885","","","","","","","","","","","","Diamantina region, Brazil","5","R -3 :R","-P 3*","148","","","Senaite","- Fe6.34 Mn O38 Pb0.83 Ti13.66 -","- Fe6.3398 Mn O38 Pb0.83 Ti13.6602 -","- Fe6.3398 Mn O38 Pb0.83 Ti13.6602 -","1","0.166667","","Grey, I. E.; Lloyd, D. J.","The crystal structure of senaite","Acta Crystallographica, Section B","1976","32","","1509","1513","10.1107/S0567740876012478","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011341","9.119","","9.119","","9.119","","69.24","","69.24","","69.24","","639.924","","","","","","","","","","","","peridotite nodules, Bultfonten kimblerlite, South Africa","13","R -3 :R","-P 3*","148","","","Mathiasite","- Ba0.14 Ca0.3 Cr3.1 Fe2.2 K0.62 Mg1.333 Na0.14 Nb0.233 O38 Sr0.1 Ti12.9 V0.233 Zr0.7 -","- Ba0.14 Ca0.3 Cr3.1002 Fe2.2002 K0.62 Mg1.3334 Na0.14 Nb0.2334 O38 Sr0.1 Ti12.9 V0.2334 Zr0.7 -","- Ba0.14 Ca0.3 Cr3.1002 Fe2.2002 K0.62 Mg1.3334 Na0.14 Nb0.2334 O38 Sr0.1 Ti12.9 V0.2334 Zr0.7 -","1","0.166667","","Gatehouse, B. M.; Grey, I. E.; Smyth, J. R.","Structure refinement of mathiasite, (K0.62Na0.14Ba0.14Sr0.10) [Ti12.90Cr3.10Mg1.53Fe2.15Zr0.67Ca0.29V0.36]O38 locality: peridotite nodules, Bultfonten kimblerlite, South africa","Acta Crystallographica, Section C","1983","39","","421","422","10.1107/S0108270183004965","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9014631","8.836","","8.836","","8.836","","107.7","","107.7","","107.7","","563.199","","","","","","","","","","","","Synthetic","3","R -3 :R","-P 3*","148","","","","- Ge O4 Zn2 -","- Ge O4 Zn2 -","- Ge6 O24 Zn12 -","6","1","","Hang, C.; Simonov, M. A.; Belov, N. V.","Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4]","Soviet Physics Crystallography","1970","15","","387","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014765","8.628","","8.628","","8.628","","107.87","","107.87","","107.87","","521.689","","","","","","","","","","","","Synthetic","3","R -3 :R","-P 3*","148","","","Willemite","- O4 Si Zn2 -","- O4 Si Zn2 -","- O24 Si6 Zn12 -","6","1","","Hang, C.; Simonov, M. A.; Belov, N. V.","Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4]","Soviet Physics Crystallography","1970","15","","387","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015045","7.78","","7.78","","7.78","","113.1","","113.1","","113.1","","304.25","","","","","","","","","","","","Synthetic","2","R -3 :R","-P 3*","148","","","Ice II","- H2 O -","- H2 O -","- H24 O12 -","12","2","","Kamb, B.","Ice II: A proton-ordered form of ice Note: T = -75 C, P = 0.3 GPa","Acta Crystallographica","1964","17","","1437","1449","10.1107/S0365110X64003553","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""