# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-27T12:46:05+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I m m 2' 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
"1000230","7.475","0.001","10.766","0.001","6.594","0.001","90","","90","","90","","530.7","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Manganese iron(III) fluoride dihydrate","","- F5 Fe H4 Mn O2 -","- F5 Fe H4 Mn O2 -","- F20 Fe4 H16 Mn4 O8 -","4","0.5","","Laligant, Y; Pannetier, J; Ferey, G","Ordered magnetic frustration. VI. Crystal and magnetic structures of the inverse Weberites Zn Fe F~5~ (H~2~ O)~2~ and Mn Fe F~5~ (H~2~ O)~2~ at 1.5K from powder neutron diffraction","Journal of Solid State Chemistry","1987","66","","242","250","10.1016/0022-4596(87)90193-9","","","","","","0.0374","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000231","7.451","0.001","10.747","0.001","6.524","0.001","90","","90","","90","","522.4","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Zinc iron(III) fluoride dihydrate","","- F5 Fe H4 O2 Zn -","- F5 Fe H4 O2 Zn -","- F20 Fe4 H16 O8 Zn4 -","4","0.5","","Laligant, Y; Pannetier, J; Ferey, G","Ordered magnetic frustration. VI. Crystal and magnetic structures of the inverse Weberites Zn Fe F~5~ (H~2~ O)~2~ and Mn Fe F~5~ (H~2~ O)~2~ at 1.5K from powder neutron diffraction","Journal of Solid State Chemistry","1987","66","","242","250","10.1016/0022-4596(87)90193-9","","","","","","0.0341","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007155","14.5","0.02","7.804","0.003","7.006","0.003","90","","90","","90","","792.8","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Caesium trisodium tetrametaphosphate tetrahydrate","","- Cs H8 Na3 O16 P4 -","- Cs H8 Na3 O16 P4 -","- Cs2 H16 Na6 O32 P8 -","2","0.25","","Averbuch-Pouchot, M T; Durif, A","Contribution to the crystal chemistry of tetrametaphosphate","Journal of Solid State Chemistry","1985","60","","13","19","10.1016/0022-4596(85)90158-6","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007157","14.5","0.02","7.804","0.003","7.006","0.003","90","","90","","90","","792.8","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Caesium trisodium tetrametaphosphate tetrahydrate","","- Cs H8 Na3 O16 P4 -","- Cs H8 Na3 O16 P4 -","- Cs2 H16 Na6 O32 P8 -","2","0.25","","Averbuch-Pouchot, M T; Durif, A","Contribution to the Crystal Chemistry of Tetrametaphosphates(II)","Journal of Solid State Chemistry","1985","60","","13","19","10.1016/0022-4596(85)90158-6","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","186636","2020-10-21","18:00:00",""
"1008867","6.6097","0.0001","10.4023","0.0002","6.3371","0.0001","90","","90","","90","","435.7","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","Chromium phosphide (2/1)","","- Cr2 P -","- Cr2 P -","- Cr24 P12 -","12","1.5","","Artigas, M; Bacmann, M; Fruchart, D; Fruchart, R","La structure cristalline de Cr2 P: Distorsion orthorhombique de la structure hexagonale de type Fe2 P","Journal of Solid State Chemistry","1996","123","","306","312","10.1006/jssc.1996.0184","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010262","3.505","0.007","6.14","0.01","5.16","0.02","90","","90","","90","","111","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Silver nitrate(III)","","- Ag N O2 -","- Ag N O2 -","- Ag2 N2 O4 -","2","0.25","","Ketelaar, J A A","Die Kristallstruktur des Silbernitrits.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","383","393","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011257","8.38","","10.7","","5.11","","90","","90","","90","","458.2","","","","","","","","","","","","from Altenberg, Harz, Germany","4","I m m 2","I 2 -2","44","","Tetrazinc dihydroxide hydrate disilicate *","Hemimorphite","- H4 O10 Si2 Zn4 -","- H5 O10 Si2 Zn4 -","- H10 O20 Si4 Zn8 -","2","0.25","","Ito, T; West, J","The Structure of Hemimorphite (H2 Zn2 Si O5)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","83","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509741","12.795","","4.2631","","5.8207","","90","","90","","90","","317.498","","","","","","","","","","","","","4","I m m 2","I 2 -2","44","","(Ag2 Hg2) (Ag0.333 Sn0.667)2 Se6","","- Ag2.666 Hg2 Se6 Sn1.334 -","- Ag2.666 Hg2 Se6 Sn1.334 -","- Ag2.666 Hg2 Se6 Sn1.334 -","1","0.125","","Parasyuk, O.V.; Gulay, L.D.","Crystal structure of the Ag2.66 Hg2 Sn1.34 Se6 and Hg2 Sn Se4 compounds","Journal of Alloys Compd.","2002","337","","94","98","10.1016/S0925-8388(01)01912-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510132","4.791","","38.336","","8.201","","90","","90","","90","","1506.26","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Eu Au Sn","","- Au Eu Sn -","- Au Eu Sn -","- Au20 Eu20 Sn20 -","20","2.5","","Mosel, B.D.; Muellmann, R.; Kotzyba, G.; Hoffmann, R.; Poettgen, R.","A five-fold superstructure of the K Hg2-type, realized for the new stannide Eu Au Sn","Chemistry - A European Journal","1997","3","","1852","1859","10.1002/chem.19970031118","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510167","4.422","","7.238","","7.531","","90","","90","","90","","241.04","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Na Au Ge","","- Au Ge Na -","- Au Ge Na -","- Au4 Ge4 Na4 -","4","0.5","","Zachwieja, U.","Na Au Ge, ein weiteres ternaeres Aurid mit ethan-analogen Ge2 Au6-Baueinheiten","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1173","1176","10.1002/zaac.19966220711","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510339","4.523","","7.154","","7.802","","90","","90","","90","","252.454","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Ca Au1.24 Ge0.76","","- Au1.24 Ca Ge0.76 -","- Au1.24 Ca Ge0.76 -","- Au4.96 Ca4 Ge3.04 -","4","0.5","","Fornasini, M.L.; Canepa, F.; Pani, M.; Merlo, F.","Phases around the 1:1:1 composition in the Yb-Au-Ge and Ca-Au-Ge systems","Journal of Alloys Compd.","1998","264","","82","88","10.1016/S0925-8388(97)00278-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510340","4.51","","7.067","","7.786","","90","","90","","90","","248.157","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Yb Au1.24 Ge0.76","","- Au1.24 Ge0.76 Yb -","- Au1.24 Ge0.76 Yb -","- Au4.96 Ge3.04 Yb4 -","4","0.5","","Merlo, F.; Fornasini, M.L.; Pani, M.; Canepa, F.","Phases around the 1:1:1 composition in the Yb-Au-Ge and Ca-Au-Ge systems","Journal of Alloys Compd.","1998","264","","82","88","10.1016/S0925-8388(97)00278-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513036","7.024","0.004","13.676","0.007","9.398","0.005","90","","90","","90","","902.8","0.8","293","2","293","2","","","","","","","","5","I m m 2","I 2 -2","44","bis(8-aminoquinolinium) tetrachlorozincate(II)","","","- C15 H13 Cl4 N3 Zn -","- C15 H13 Cl4 N3 Zn -","- C30 H26 Cl8 N6 Zn2 -","2","0.25","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.0575","0.0452","","","0.0866","0.0914","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514091","3.053","","4.931","","5.197","","90","","90","","90","","78.237","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","Lithium Ozonide - Hypothetical","","- Li O3 -","- Li O3 -","- Li2 O6 -","2","0.25","","Zhuravlev, Yu. N.; Obolonskaya, O. S.","Structure, mechanical stability and chemical bond in alkali metal oxides","Journal of Structural Chemistry (USSR) (= Zhurnal Strukturnoi Khimii)","2010","51","6","1005","1013","10.1007/s10947-010-0157-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1523472","2.6726","","8.6946","","4.6703","","90","","90","","90","","108.525","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","","","- Ir3 Li -","- Ir3 Li -","- Ir6 Li2 -","2","0.25","","Donkersloot, H.C.; van Vucht, J.H.N.","The crystal structure of Ir Li, Ir3 Li and Li Rh3","Journal of the Less-Common Metals","1976","50","","279","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525907","4.32","","7.17","","7.5","","90","","90","","90","","232.308","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","U Pt Ge","","- Ge Pt U -","- Ge Pt U -","- Ge4 Pt4 U4 -","4","0.5","","Mannix, D.; Kawamata, S.; Coad, S.; Lander, G.H.; Brown, P.J.; Paixao, J.A.; Yamaguchi, Y.; Rebizant, J.; Langridge, S.","Neutron and synchrotron diffraction study of U Pt Ge","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2000","62","","3801","3809","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526226","5.437","","5.85","","8.083","","90","","90","","90","","257.092","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Y Fe2 H5","","- Fe2 H5 Y -","- Fe2 H5 Y -","- Fe8 H20 Y4 -","4","0.5","","Paul-Boncour, V.; Filipek, S.M.; Pielaszek, J.; Percheron-Guegan, A.; Marchuk, I.","Structural and magnetic properties of R Fe2 H5 hydrides (R = Y, Er)","Journal of Alloys Compd.","2001","317","","83","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526228","5.424","","5.793","","8.009","","90","","90","","90","","251.653","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Er Fe2 H5 -","- Er Fe2 H5 -","- Er4 Fe8 H20 -","4","0.5","","Paul-Boncour, V.; Filipek, S.M.; Percheron-Guegan, A.; Marchuk, I.; Pielaszek, J.","Structural and magnetic properties of R Fe2 H5 hydrides (R = Y, Er)","Journal of Alloys Compd.","2001","317","","83","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526561","7.4512","","14.112","","18.838","","90","","90","","90","","1980.84","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Na4.26 (Al4.26 Si31.74 O72)","","- Al4.256 O72 Si31.744 -","- Al4.256 O72 Si31.744 -","- Al4.256 O72 Si31.744 -","1","0.125","","Kato, M.; Itabashi, K.","Structure refinement of Na-ferrierite by the space group determined from the ordered distribution of Al atoms in its framework","X-sen Bunseki no Shinpo","2000","31","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","147760","2020-10-21","18:00:00",""
"1527466","7.245","","10.32","","7.458","","90","","90","","90","","557.623","","","","","","","","","","","","","4","I m m 2","I 2 -2","44","","Na2 Ni Fe F7","","- F7 Fe Na2 Ni -","- F7 Fe Na2 Ni -","- F28 Fe4 Na8 Ni4 -","4","0.5","","Haegele, R.; Babel, D.; Verscharen, W.; Dance, J.M.; Tressaud, A.","Die Verfeinerung der Weberitstruktur der Verbindung Na2 Ni Fe F7","Journal of Solid State Chemistry","1978","24","","77","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527883","23.07","","8.04","","3.3","","90","","90","","90","","612.093","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Zn (O H)2","","- H2 O2 Zn -","- O2 Zn -","- O24 Zn12 -","12","1.5","","Norlund Christensen, A.","The crystal structure of gamma- Zn (O H)2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1969","23","","2016","2020","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530619","8.944","","15.834","","5.205","","90","","90","","90","","737.128","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","K2 Mn2 Zn4 Si4 O15","","- K2 Mn2 O15 Si4 Zn4 -","- K2 Mn2 O15 Si4 Zn4 -","- K4 Mn4 O30 Si8 Zn8 -","2","0.25","","Pushcharovskii, D.Yu.; Pobedimskaya, E.A.; Belov, N.V.","Crystal structure of K2 Mn2 Zn4 Si4 O15 = K2 Mn2 Zn4 (Si O4)2 (Si2 O7)","Doklady Akademii Nauk SSSR","1969","185","","1045","1048","","","","","","","","","","","","","","","","","","","","","","has coordinates","155754","2020-10-21","18:00:00",""
"1531676","12.8721","","2.61312","","4.4003","","90","","90","","90","","148.01","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","P3 N5","","- N5 P3 -","- N5 P3 -","- N10 P6 -","2","0.25","","Landskron, K.; Huppertz, H.; Senker, J.; Schnick, W.","Multianvil-Synthese, Pulver-Roentgenstrukturanalyse, (31)P- MAS-NMR-und FTIR-Spektroskopie sowie Materialeigenschaften von gamma-(P3 N5), einer Hochdruckphase von binaerem Phosphor(V)-nitrid mit verzerrt quadratischen (P N5)- Pyramiden und (P N4)-Tetraedern","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1465","1471","","","","","","","","","","","","","","","","","","","","","","has coordinates","157212","2020-10-21","18:00:00",""
"1531900","3.78","","3.78","","12.68","","90","","90","","90","","181.177","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","(Sr0.8 La1.2) (Al0.8 Mg0.2) O4","","- Al0.8 La1.2 Mg0.2 O4 Sr0.8 -","- Al0.8 La1.2 Mg0.2 O4 Sr0.8 -","- Al1.6 La2.4 Mg0.4 O8 Sr1.6 -","2","0.25","","Magrez, A.; Caldes, M.T.; Morniroli, J.P.; Marie, A.M.; Brohan, L.; Joubert, O.","Using CBED and crystallographic image processing to evidence a structural distortion in a new family of ionic conductor Sr1-x La1+x Al1-x Mgx O4 (0 <= x <= 0.7)","Journal of Solid State Chemistry","2003","172","","243","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","157487","2020-10-21","18:00:00",""
"1535117","7.855","","9.26","","4.801","","90","","90","","90","","349.212","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Sr N8 Si6","","- N8 Si6 Sr -","- N8 Si6 Sr -","- N16 Si12 Sr2 -","2","0.25","","Stadler, F.; Oeckler, O.; Schnick, W.; Hoeppe, H.A.; Senker, J.; Kroll, P.","Sr Si6 N8 - A Reduced Nitridosilicate With A Si-Si-bond","Angew. Chem. Int. ed.","2005","44","","567","570","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535513","4.3286","","7.1881","","7.5166","","90","","90","","90","","233.875","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","U Pt Ge","","- Ge Pt U -","- Ge Pt U -","- Ge4 Pt4 U4 -","4","0.5","","Hoffmann, R.D.; Poettgen, R.; Lander, G.H.; Rebizant, J.","Platinum - germanium ordering in U Pt Ge","Solid State Sciences","2001","3","","697","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536748","11.504","","15.245","","17.647","","90","","90","","90","","3094.9","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Na9 (Ce (W5 O18)2) (Na Cl) (H2 O)30","","- Ce Cl Na7 O65 W10 -","- Ce Cl Na7 O65 W10 -","- Ce2 Cl2 Na14 O130 W20 -","2","0.25","","Xue Ganglin; Vaissermann, J.; Gouzerh, P.","Cerium(III) complexes with lacunary polyoxotungstates. Synthesis and structural characterization of a novel heteropolyoxotungstate based on alpha - (Sb W9 O33)(9-) units","Journal of Cluster Science","2002","13","","409","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540147","3.5058","","11.0868","","5.313","","90","","90","","90","","206.506","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Ni3.36 Si1.76 P6","","- Ni3.36 P6 Si1.76 -","- Ni3.36 P6 Si1.76 -","- Ni3.36 P6 Si1.76 -","1","0.125","","Il'nitskaya, O.N.; Zavalii, P.Yu.; Kuz'ma, Yu.B.","The new compound Ni3.36 Si1.76 P6 and its crystal structure","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1989","1989","","38","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","169339","2020-10-21","18:00:00",""
"1549512","8.3881","0.0013","10.7179","0.0011","5.1311","0.0009","90","","90","","90","","461.3","0.12","","","","","","","1","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O","","hemimorphite","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1bar, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208135","2020-10-21","18:00:00",""
"1549513","8.3512","0.0009","10.7136","0.0015","5.1092","0.0002","90","","90","","90","","457.13","0.08","","","","","","","170000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 0.17 GPa","","hemimorphite at 0.17 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 0.17 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208136","2020-10-21","18:00:00",""
"1549514","8.3359","0.0008","10.7125","0.0013","5.10008","0.00019","90","","90","","90","","455.43","0.07","","","","","","","470000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 0.47 GPa","","hemimorphite at 0.47 GPa","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 0.47 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208137","2020-10-21","18:00:00",""
"1549515","8.2849","0.0008","10.7055","0.0013","5.0843","0.00018","90","","90","","90","","450.95","0.07","","","","","","","1300000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 1.30 GPa","","hemimorphite at 1.30 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1.30 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208138","2020-10-21","18:00:00",""
"1549516","8.2453","0.001","10.6959","0.0016","5.0691","0.0002","90","","90","","90","","447.05","0.09","","","","","","","1930000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 1.93 GPa","","hemimorphite at 1.93 GPa","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1.93 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208139","2020-10-21","18:00:00",""
"1549517","8.2209","0.0009","10.692","0.0015","5.0614","0.0002","90","","90","","90","","444.89","0.08","","","","","","","2440000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 2.44 GPa","","hemimorphite at 2.44 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 2.44 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208140","2020-10-21","18:00:00",""
"1549772","8.366","0.001","10.714","0.001","5.113","0.001","90","","90","","90","","458.3","0.11","","","70","","","","","","","","","4","I m m 2","I 2 -2","44","hemimorphite at 70K","","hemimorphite","- H2 O5 Si Zn2 -","- H2 O5 Si Zn2 -","- H8 O20 Si4 Zn8 -","4","0.5","","Takeuchi, Y.; Sasaki, S.; Joswig, W.; Fuess, H.","X-ray and neutron diffraction study of hemimorphite : Neutron result at 70 K","Proceedings of the Japan Academy, Series B","1978","54","","577","582","","","","","","","","","","","","","","","","","","","","","","has coordinates","209415","2020-10-21","18:00:00",""
"1549773","8.366","0.001","10.714","0.001","5.113","0.001","90","","90","","90","","458.3","0.11","","","298","","","","","","","","","4","I m m 2","I 2 -2","44","hemimorphite","","hemimorphite","- H2 O5 Si Zn2 -","- H3 O5.5 Si Zn2 -","- H12 O22 Si4 Zn8 -","4","0.5","","Takeuchi, Y.; Sasaki, S.; Joswig, W.; Fuess, H.","X-ray and neutron diffraction study of hemimorphite : Neutron result at room temperature","Proceedings of the Japan Academy, Series B","1978","54","","577","582","","","","","","","","","","","","","","","","","","","","","","has coordinates","209416","2020-10-21","18:00:00",""
"1549774","8.366","0.001","10.714","0.001","5.113","0.001","90","","90","","90","","458.3","0.11","","","300","","","","","","","","","4","I m m 2","I 2 -2","44","hemimorphite","","hemimorphite","- H2 O5 Si Zn2 -","- O5.5 Si Zn2 -","- O22 Si4 Zn8 -","4","0.5","","Takeuchi, Y.; Sasaki, S.; Joswig, W.; Fuess, H.","X-ray and neutron diffraction study of hemimorphite : XRD result at room temperature","Proceedings of the Japan Academy, Series B","1978","54","","577","582","","","","","","","","","","","","","","","","","","","","","","has coordinates","209417","2020-10-21","18:00:00",""
"1561722","12.42134","0.00017","5.7911","0.0001","9.50388","0.00014","90","","90","","90","","683.645","0.018","100","2","100","2","","","","","","","","3","I m m 2","I 2 -2","44","Ba3ThSe7","","","- Ba3 Se7 Th -","- Ba3 Se7 Th -","- Ba6 Se14 Th2 -","2","0.25","","Prakash, Jai; Mesbah, Adel; Beard, Jessica; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Synthesis, crystal structure, optical, and electronic study of the new ternary thorium selenide Ba3ThSe3(Se2)2","Journal of Solid State Chemistry","2015","231","","163","168","10.1016/j.jssc.2015.08.012","","","0.71073","MoKα","","0.0083","0.008","","","0.0171","0.0172","","","","","","0.688","","","","has coordinates","264126","2021-04-14","07:49:51",""
"1566343","8.368","0.002","10.724","0.003","5.1121","0.0013","90","","90","","90","","458.8","0.2","","","298","","","","100","","","","","4","I m m 2","I 2 -2","44","Zn4[Si2O7](OH)2H2O","","hemimorphite","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Okamoto, K.; Kuribayashi, T.; Nagase, T.","Modulated structure of hemimorphite associated with pressure-induced phase transition","Journal of Mineralogical and Petrological Sciences","2021","116","","251","262","10.2465/jmps.210731","","","","","","","","","","","","","","","","","","","","","has coordinates","272928","2022-02-11","11:15:51",""
"1570332","3.805","","16.987","","3.023","","90","","90","","90","","195.393","","293","","293","","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Na1.96 O6 Ti2.6 -","- Na0.49 O6 Ti1.3 -","- Na0.49 O6 Ti1.3 -","1","0.125","","Ma, Xuanao; Liu, Yang; Zhang, Yunhuai; Gong, Yun","Layered sodium titanate with a matched lattice: a single ion conductor in a solid-state sodium metal battery.","Chemical science","2023","14","47","13812","13824","10.1039/d3sc04355j","","","1.5406","CuKα","","0.0757","0.0757","","0.0895","0.0895","","","","0.957","0.957","0.957","","","","","has coordinates","288745","2024-01-06","07:23:18",""
"1573349","8.35707","0.00012","10.714","0.002","5.11006","0.00005","90","","90","","90","","457.54","0.09","293","2","293","2","","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.2229","synchrotron","","0.0661","0.0566","","","0.1465","0.1577","","","","","","1.019","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573353","8.2334","0.0007","10.717","0.006","5.0641","0.0003","90","","90","","90","","446.8","0.3","293","","293","2","","","","","","","","3","I m m 2","I 2 -2","44","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0621","0.0503","","","0.1383","0.1597","","","","","","1.034","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573357","8.2501","0.0002","10.694","0.003","5.06794","0.00016","90","","90","","90","","447.13","0.13","293","2","293","2","","","","","","","","3","I m m 2","I 2 -2","44","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.35424","synchrotron","","0.1001","0.099","","","0.2505","0.2519","","","","","","1.029","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573358","8.2846","0.0002","10.697","0.002","5.0823","0.0001","90","","90","","90","","450.4","0.09","293","2","293","2","1500000","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0669","0.0593","","","0.1608","0.171","","","","","","1.053","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573363","8.31709","0.00017","10.706","0.003","5.09489","0.00007","90","","90","","90","","453.66","0.13","293","2","293","2","","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.2229","synchrotron","","0.0626","0.0562","","","0.1595","0.1687","","","","","","1.084","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573364","8.2502","0.0002","10.685","0.003","5.0695","0.0001","90","","90","","90","","446.89","0.13","293","2","293","2","2100000","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0649","0.0549","","","0.1513","0.1621","","","","","","1.072","","","","has coordinates","296163","2024-11-29","03:01:55",""
"2008101","8.2535","0.0001","9.2084","0.0001","5.161","0.0001","90","","90","","90","","392.244","0.01","293","","293","","","","","","","","","4","I m m 2","I 2 -2","44","","","","- Ba Ca Ga4 O8 -","- Ba Ca Ga4 O8 -","- Ba2 Ca2 Ga8 O16 -","2","0.25","OS1030","Shun-ich Kubota; Hisanori Yamane; Masahiko Shimada","A powder diffraction study of BaCaGa~4~O~8~","Acta Crystallographica Section C","1999","55","1","14","17","10.1107/S0108270198010178","","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019618","4.5261","0.0007","7.1356","0.0011","7.8147","0.0011","90","","90","","90","","252.39","0.07","273","2","273","2","","","","","","","","3","I m m 2","I 2 -2","44","","Calcium gold stannide","","- Au Ca Sn -","- Au Ca Sn -","- Au4 Ca4 Sn4 -","4","0.5","FN3175","Lin, Qisheng; Corbett, John D.","The low-temperature form of calcium gold stannide, CaAuSn","Acta Crystallographica Section C","2014","70","8","","","10.1107/S205322961401612X","","","0.71073","MoKα","","0.028","0.0276","","","0.0719","0.072","","","","","","1.173","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2101903","12.34","","12.41","","30.71","","90","","90","","90","","4702.91","","","","","","","","","","","","","3","I m m 2","I 2 -2","","","","","- Al12 Cr Fe2 -","- Al12.7576 Tm2.5 -","- Al255.152 Tm50 -","20","2.5","ZH0014","Sui, H. X.; Liao, X. Z.; Kuo, K. H.; Zou, X.; Hovmöller, S.","Structural Model of the Orthorhombic Non-Fibonacci Approximant in the Al~12~Fe~2~Cr Alloy","Acta Crystallographica Section B","1997","53","4","587","595","10.1107/S0108768197000220","","","","electron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105346","3.528","","6.172","","5.181","","90","","90","","90","","112.815","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Ag (N O2)","","- Ag N O2 -","- Ag N O2 -","- Ag2 N2 O4 -","2","0.25","","Saito, Y.; Ohba, S.","Structure of silver(I) nitrite, a redetermination","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1911","1913","10.1107/S0567740881007565","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105382","5.9","","6.4","","8.7","","90","","90","","90","","328.512","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","","","- Ag8 S -","- Ag8 S -","- Ag16 S2 -","2","0.25","","Hashimoto, H.; Yu, Y.-D.; Guan, R.; Makita, Y.","Electron-microscope study of the structure of Ag8 S formed in the initial stage of silver sulfidation","Acta Crystallographica B (39,1983-)","1995","51","","149","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2207154","9.4033","0.0006","10.2886","0.0007","7.1791","0.0005","90","","90","","90","","694.55","0.08","298","2","298","2","","","","","","","","5","I m m 2","I 2 -2","44","","catena-poly[[tetraaquacobalt(II)-μ-pyrazine] phthalate]","","- C12 H16 Co N2 O8 -","- C12 H16 Co N2 O8 -","- C24 H32 Co2 N4 O16 -","2","0.25","BT6759","Ng, Seik Weng","Rerefinement of <i>catena</i>-poly[[tetraaquacobalt(II)-μ-pyrazine] phthalate] in a lower-symmetry space group","Acta Crystallographica Section E","2005","61","11","m2297","m2298","10.1107/S1600536805032575","","","0.71073","MoKα","","0.023","0.023","","","0.074","0.074","","","","","","1.25","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2310656","3.311","","5.526","","3.526","","90","","90","","90","","64.514","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","","","- Hg O -","- Hg O -","- Hg2 O2 -","2","0.25","","Roth, W.L.","The Structure of Mercuric Oxide","Acta Crystallographica (1,1948-23,1967)","1956","9","","277","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","303130","2025-11-01","10:28:42",""
"4000397","8.23","0.001","9.655","0.001","4.9093","0.0008","90","","90","","90","","390.1","0.09","293","2","293","2","","","","","","","","5","I m m 2","I 2 -2","44","Ba sialon","","","- Al Ba N7 O2 Si5 -","- Al Ba N7 O2 Si5 -","- Al2 Ba2 N14 O4 Si10 -","2","0.25","","Esmaeilzadeh, Saeid; Grins, Jekabs; Shen, Zhijian; Edén, Mattias; Thiaux, Marie","Study of Sialon S-phases M~2~Al~x~Si~12-x~N~16-x~O~2+x~, M = Ba and Ba~0.9~Eu~0.1~, by X-ray Single Crystal Diffraction, X-ray Powder Diffraction, and Solid-State Nuclear Magnetic Resonance","Chemistry of Materials","2004","16","11","2113","2120","10.1021/cm031129l","","","0.71073","MoKα","","0.0351","0.0349","","","0.0952","0.0954","","","","","","1.138","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000761","7.119","0.006","21.58","0.02","9.1","0.008","90","","90","","90","","1398","2","298","2","298","2","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C21 H23 Cu2 N9 O6 -","- C21 H23 Cu2 N9 O6 -","- C42 H46 Cu4 N18 O12 -","2","0.25","","Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul","Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks","Chemistry of Materials","2011","23","11","2908","","10.1021/cm2004352","","","0.71073","MoKα","","0.0663","0.0604","","","0.1503","0.154","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001730","4.697","","21.912","","8.127","","90","","90","","90","","836.436","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Yb Au Sn","","- Au Sn Yb -","- Au Sn Yb -","- Au12 Sn12 Yb12 -","12","1.5","","Poettgen, R.; Hoffmann, R.D.; Kussmann, D.; Muellmann, R.; Mosel, B.D.","Secondary Au-Au and Sn-Sn interactions in the superstructure of Yb Au Sn - missing link in the series of K Hg2 superstructures","Chemistry of Materials (1,1989-)","2001","13","","4019","4025","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002433","17.813","","17.675","","17.834","","90","","90","","90","","5614.94","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","Si O2","","- O2 Si -","- O2 Si -","- O64 Si32 -","32","4","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4003975","7.21842","0.00018","7.157","0.0005","10.1655","0.0003","90","","90","","90","","525.17","0.04","40","","40","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.9601","2.0291","","","","","","","has coordinates","267297","2021-07-06","22:23:24",""
"4003978","7.21949","0.00019","7.156","0.0005","10.1648","0.0004","90","","90","","90","","525.14","0.04","2","","2","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.9157","2.1","","","","","","","has coordinates","267298","2021-07-06","22:24:00",""
"4003981","7.2196","0.0002","7.1573","0.0005","10.1651","0.0004","90","","90","","90","","525.26","0.04","30","","30","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","4.6774","2.1839","","","","","","","has coordinates","267299","2021-07-06","22:24:34",""
"4003984","7.2169","0.0002","7.1576","0.0004","10.1656","0.0003","90","","90","","90","","525.11","0.04","45","","45","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.8053","2.0538","","","","","","","has coordinates","267300","2021-07-06","22:25:07",""
"4003993","7.2185","0.0002","7.1571","0.0005","10.1658","0.0004","90","","90","","90","","525.2","0.04","35","","35","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","4.0621","2.1069","","","","","","","has coordinates","267305","2021-07-06","22:27:57",""
"4062525","32.09","0.012","6.59","0.002","8.354","0.003","90","","90","","90","","1766.6","1.1","100","2","100","2","","","","","","","","7","I m m 2","I 2 -2","44","","","","- C32 H40 Ag F6 N8 O4 P -","- C32 H40 Ag F5.97 N8 O4 P -","- C64 H80 Ag2 F11.94 N16 O8 P2 -","2","0.25","","","","Organometallics","2004","","","","","10.1021/om030689r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4102195","15.881","0.004","9.182","0.002","10.685","0.002","90","","90","","90","","1558.1","0.6","100","2","100","2","","","","","","","","6","I m m 2","I 2 -2","44","(Et4N)[Ni(PyN2(Me2))Cl].CH2Cl2","","","- C32 H43 Cl3 N4 Ni O2 -","- C32 H21 Cl3 N4 Ni O2 -","- C64 H42 Cl6 N8 Ni2 O4 -","2","0.25","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0614","0.06","","","0.1639","0.1657","","","","","","1.139","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102196","15.698","0.008","9.143","0.005","10.847","0.005","90","","90","","90","","1556.8","1.4","100","2","100","2","","","","","","","","6","I m m 2","I 2 -2","44","(Et4N)[Ni(PyN2(Me2))SH]","","","- C31 H42 N4 Ni O2 S -","- C31 H22 N4 Ni O2 S -","- C62 H44 N8 Ni2 O4 S2 -","2","0.25","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0514","0.0476","","","0.122","0.125","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102198","15.572","0.005","9.016","0.003","10.919","0.004","90","","90","","90","","1533","0.9","100","2","100","2","","","","","","","","5","I m m 2","I 2 -2","44","(Et4N)[Ni(PyN2(Me2))CN]","","","- C32 H41 N5 Ni O2 -","- C32 H21 N5 Ni O2 -","- C64 H42 N10 Ni2 O4 -","2","0.25","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0391","0.0383","","","0.1021","0.1036","","","","","","1.1","","","","has coordinates","194617","2020-10-21","18:00:00",""
"4113352","15.464","0.004","17.324","0.004","8.763","0.002","90","","90","","90","","2347.6","1","100","2","100","2","","","","","","","Nermeen W. Aboelella","5","I m m 2","I 2 -2","44","CMC080F","","","- C35 H53 Cu N2 O2 -","- C35 H53 Cu N2 O2 -","- C70 H106 Cu2 N4 O4 -","2","0.25","","Nermeen W. Aboelella; Sergey V. Kryatov; Benjamin F. Gherman; William W. Brennessel; Victor G. Young; Ritimukta Sarangi; Elena V. Rybak-Akimova; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Christopher J. Cramer; William B. Tolman","Dioxygen Activation at a Single Copper Site: Structure, Bonding, and Mechanism of Formation of 1:1 Cu-O2 Adducts","Journal of the American Chemical Society","2004","126","","16896","16911","10.1021/ja045678j","","","0.55936","APSsynchrotron","","0.1022","0.0936","","","0.2338","0.243","","","","","","1.291","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4115126","15.464","0.004","17.324","0.004","8.763","0.002","90","","90","","90","","2347.6","1","173","2","173","2","","","","","","","Nermeen W. Aboelella","5","I m m 2","I 2 -2","44","02073","(tbu)2LiPrCu(O2)","","- C47 H77 Cu N2 O5 -","- C35 H55 Cu N2 O2 -","- C70 H110 Cu2 N4 O4 -","2","0.25","","Nermeen W. Aboelella; Elizabeth A. Lewis; Anne M. Reynolds; William W. Brennessel; Christopher J. Cramer; William B. Tolman","Snapshots of Dioxygen Activation by Copper: The Structure of a 1:1 Cu/O2 Adduct and Its Use in Syntheses of Asymmetric Bis(μ-oxo) Complexes","Journal of the American Chemical Society","2002","124","","10660","10661","10.1021/ja027164v","","","0.71073","MoKα","","0.1083","0.0867","","","0.1853","0.1988","","","","","","1.016","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4134990","27.464","0.009","6.5518","0.001","6.5518","0.001","90","","90","","90","","1178.9","0.5","423","2","423","2","","","","","","","","6","I m m 2","I 2 -2","44","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C24 H48 F8 I8 N4 Pb2 -","2","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.2239","0.1715","","","0.4511","0.4769","","","","","","1.585","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4304954","11.18","0.02","12.41","0.03","13.19","0.03","90","","90","","90","","1830","7","150","2","150","2","","","","","","","","5","I m m 2","I 2 -2","44","","Lithium diethyl ether Uranium(V) hexakis(tert-butoxide)","","- C28 H64 Li O7 U -","- C28 H64 Li O7 U -","- C56 H128 Li2 O14 U2 -","2","0.25","","Skye Fortier; Guang Wu; Trevor W. Hayton","Synthesis and Characterization of Three Homoleptic Alkoxides of Uranium: [Li(THF)]2[UIV(OtBu)6], [Li(Et2O)][UV(OtBu)6], and UVI(OtBu)6","Inorganic Chemistry","2008","47","","4752","4761","10.1021/ic800067k","","","0.71073","MoKα","","0.0352","0.0352","","","0.0873","0.0873","","","","","","1.083","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4306984","10.927","0.002","11.573","0.002","19.952","0.004","90","","90","","90","","2523.1","0.8","","","100","2","","","","","","","","4","I m m 2","I 2 -2","44","","","","- Ge K10 Nb14 O50 -","- Ge K8.76 Nb14 O53 -","- Ge2 K17.52 Nb28 O106 -","2","0.25","","May Nyman; James P. Larentzos; Edward J. Maginn; Margaret E. Welk; David Ingersoll; Hyunsoo Park; John B. Parise; Ivor Bull; François Bonhomme","Experimental and Theoretical Methods to Investigate Extraframework Species in a Layered Material of Dodecaniobate Anions","Inorganic Chemistry","2007","46","","2067","2079","10.1021/ic061454l","","x-ray","0.49595","synchrotron","","0.0543","0.0543","","","0.1493","0.1493","","","","","","1.086","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4313466","7.584","0.013","15.8","0.02","6.939","0.011","90","","90","0.01","90","","831","2","293","2","293","2","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C6 H6 Co N2 O5 -","- C6 H8 Co N2 O5 -","- C24 H32 Co4 N8 O20 -","4","0.5","","Sanjit Konar; Partha Sarathi Mukherjee; Michael G. B. Drew; Joan Ribas; Nirmalendu Ray Chaudhuri","Syntheses of Two New 1D and 3D Networks of Cu(II) and Co(II) Using Malonate and Urotropine as Bridging Ligands: Crystal Structures and Magnetic Studies","Inorganic Chemistry","2003","42","","2545","2552","10.1021/ic020549u","","","0.71073","MoKα","","0.0347","0.0319","","","0.0778","0.0795","","","","","","1.071","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4319701","15.345","0.003","3.8377","0.0008","9.4375","0.0019","90","","90","","90","","555.77","0.19","110","1","110","1","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Er7 Ni2 Te2 -","- Er7 Ni2 Te2 -","- Er14 Ni4 Te4 -","2","0.25","","Fanqin Meng; Timothy Hughbanks","Er7Ni2Te2: The Most Rare-Earth Metal-Rich Ternary Chalcogenide","Inorganic Chemistry","2001","40","","2482","2483","10.1021/ic010009h","","","0.71073","MoKα","","0.0431","0.0354","","","0.0777","0.0995","","","","","","1.163","","","","has coordinates","179277","2020-10-21","18:00:00",""
"4335637","12.5121","0.0009","12.5171","0.0008","12.5099","0.0009","90","","90","","90","","1959.2","0.2","180","2","180","2","","","","","","","","5","I m m 2","I 2 -2","44","beta-Formamidinium_Tin_Iodide","","","- C H5 I3 N2 Sn -","- C I3 N2 Sn -","- C8 I24 N16 Sn8 -","8","1","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.078","0.0486","","","0.1276","0.1432","","","","","","0.963","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4338655","4.3987","0.0008","13.06","0.001","9.6032","0.0009","90","","90","","90","","551.68","0.12","273","2","273","2","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Au7.16 Ca3 Ge3.84 -","- Au7.16 Ca3 Ge3.84 -","- Au14.32 Ca6 Ge7.68 -","2","0.25","","Lin, Qisheng; Corbett, John D.","Centric and Non-centric Ca3Au∼7.5Ge\σim: Electron-Poor Derivatives of La3Al11. Syntheses, Structures, and Bonding Analyses","Inorganic Chemistry","2009","48","12","5403","5411","10.1021/ic900383d","","","0.71073","MoKα","","0.0582","0.0568","","","0.136","0.137","","","","","","1.096","","","","has coordinates","210061","2020-10-21","18:00:00",""
"4338656","4.4154","0.0006","13.1","0.002","9.577","0.001","90","","90","","90","","553.95","0.13","273","2","273","2","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Au7.43 Ca3 Ge3.57 -","- Au7.429 Ca3 Ge3.571 -","- Au14.858 Ca6 Ge7.142 -","2","0.25","","Lin, Qisheng; Corbett, John D.","Centric and Non-centric Ca3Au∼7.5Ge\σim: Electron-Poor Derivatives of La3Al11. Syntheses, Structures, and Bonding Analyses","Inorganic Chemistry","2009","48","12","5403","5411","10.1021/ic900383d","","","0.71073","MoKα","","0.0357","0.033","","","0.0649","0.0661","","","","","","1.074","","","","has coordinates","210061","2020-10-21","18:00:00",""
"4342270","23.9011","0.0008","34.6395","0.0008","13.4553","0.0003","90","","90","","90","","11139.9","0.5","173","2","173","2","","","","","","","","7","I m m 2","I 2 -2","44","","","","- C95 H93 Cd Cl2 N25 Ni2 O5 -","- C95 H90 Cd Cl2 N25 Ni2 O5 -","- C380 H360 Cd4 Cl8 N100 Ni8 O20 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A; Rogez, Guillaume; Hosseini, Mir Wais","Assembly, disassembly, and reassembly: conversion of homometallic coordination networks into mixed metal-organic frameworks.","Inorganic chemistry","2015","54","4","2032","2039","10.1021/ic502950k","","","0.71073","MoKα","","0.0516","0.0383","","","0.0883","0.0917","","","","","","1.035","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4344165","3.8169","","15.086","","9.3765","","90","","90","","90","","539.915","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Lu7 Ni2 Te2 -","- Lu7 Ni2 Te2 -","- Lu14 Ni4 Te4 -","2","0.25","","Chen Ling; Corbett, J.D.","Synthesis, structure and bonding of Lu7 Z2 Te2 (Z= Ni, Pd, Ru). Linking typical tricapped trigonal prisms in metal-rich compounds","Inorganic Chemistry","2004","43","","3371","3376","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344166","3.8841","","15.19","","9.4483","","90","","90","","90","","557.445","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Lu7 Pd2 Te2 -","- Lu7 Pd2 Te2 -","- Lu14 Pd4 Te4 -","2","0.25","","Chen Ling; Corbett, J.D.","Synthesis, structure and bonding of Lu7 Z2 Te2 (Z = Ni, Pd, Ru). Linking typical tricapped trigonal prisms in metal-rich compounds","Inorganic Chemistry","2004","43","","3371","3376","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4349962","9.1357","0.0004","16.0102","0.0006","11.0362","0.0005","90","","90","","90","","1614.2","0.12","100","2","100","2","","","","","","","","6","I m m 2","I 2 -2","44","[Cu(NNN-Me-pincer)-CN](Et4N).CH2Cl2","","","- C33 H43 Cl2 Cu N5 O2 -","- C33 H43 Cl2 Cu N5 O2 -","- C66 H86 Cl4 Cu2 N10 O4 -","2","0.25","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0452","0.0444","","","0.1131","0.1144","","","","","","1.081","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4506126","26.6143","0.001","9.5626","0.0003","3.5796","0.00012","90","","90","","90","","911.02","0.05","","","293","","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C4 H12 Al5 F17 N10 -","- C4 Al5 F17 N10 -","- C8 Al10 F34 N20 -","2","0.25","","Cadiau, A; Le Bail, A; Hemon-Ribaud, A; Leblanc, M; Body, M; Fayon, F; Durand, E; Boulou, J C; Maisonneuve, V","Evolution of Guanazolium Fluoroaluminates within the Composition-Space Diagram and with the Temperature","Crystal Growth & Design","2010","10","","5159","5168","10.1021/cg100909x","","","","","","","","","","","","","","","","","","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4509726","13.179","0.001","13.178","0.001","20.568","0.001","90","","90","","90","","3572.1","0.4","90","2","90","2","","","","","","","","6","I m m 2","I 2 -2","44","","","","- C40 H54 Cl Cu4 N19 O14 -","- C32 H16 Cl Cu4 N16 O12 -","- C64 H32 Cl2 Cu8 N32 O24 -","2","0.25","","Ouellette, Wayne; Liu, Hongxue; Whitenack, Kelly; O’Connor, Charles J.; Zubieta, Jon","A Three-Dimensional Porous and Magnetic Framework Constructed from {Cu4(μ4-Cl)}+7Clusters and 4-(1H-Tetrazol-5yl)-benzoic Acid, (Me2NH2)[Cu4Cl(tba)4(H2O)4]·2DMF","Crystal Growth & Design","2009","9","10","4258","","10.1021/cg900734d","","x-ray","0.71073","MoKα","","0.0609","0.0521","","","0.1315","0.1364","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021230","22.627","0.002","28.299","0.003","46.401","0.005","90","","90","","90","","29712","5","296","2","296","2","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C40 Na35 O339 P40 U40 -","- C40 Na22.8 O349.6 P40 U40 -","- C80 Na45.6 O699.2 P80 U80 -","2","0.25","","Liao, Zuolei; Ling, Jie; Reinke, Laura R.; Szymanowski, Jennifer E. S.; Sigmon, Ginger E.; Burns, Peter C.","Cage clusters built from uranyl ions bridged through peroxo and 1-hydroxyethane-1,1-diphosphonic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6793","6802","10.1039/c3dt33025g","","","0.71073","MoKα","","0.0936","0.0614","","","0.1917","0.2144","","","","","","1.018","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7027226","10.9768","0.0003","11.4017","0.0003","5.4032","0.0001","90","","90","","90","","676.23","0.03","293","2","293","2","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C12 H8 Co N2 O4 -","- C12 H8 Co N2 O4 -","- C24 H16 Co2 N4 O8 -","2","0.25","","Zheng, Li-Min; Fang, Xia; Lii, Kwang-Hwa; Song, Hui-Hua; Xin, Xin-Quan; Fun, Hoong-Kun; Chinnakali, Kandasamy; Razak, Ibrahim Abdul","Syntheses, crystal structures and magnetic properties of two novel layered compounds: [Fe3(C2O4)3(4,4′-bpy)4] and [Co(C2O4)(4,4′-bpy)] (4,4′-bpy = 4,4′-bipyridine) †","Journal of the Chemical Society, Dalton Transactions","1999","","14","2311","","10.1039/a809738k","","","0.71073","MoKα","","0.0267","0.0257","","0.0671","0.0666","","","","1.119","1.132","1.132","","","","","has coordinates","179978","2020-10-21","18:00:00",""
"7034476","39.11","0.003","4.3763","0.0003","7.3452","0.0006","90","","90","","90","","1257.18","0.17","293","2","293","2","","","","","","","","4","I m m 2","I 2 -2","44","","","","- Ba5 In4 S7 Te4 -","- Ba5 In4 S7 Te4 -","- Ba10 In8 S14 Te8 -","2","0.25","","Tan, De-Ming; Lin, Chen-Sheng; Luo, Zhong-Zhen; Zhang, Hao; Zhang, Wei-Long; He, Zhang-Zhen; Cheng, Wen-Dan","Synthesis and characterization of a new mid-infrared transparent compound: acentric Ba5In4Te4S7.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7673","7678","10.1039/c5dt00228a","","","0.71073","MoKα","","0.019","0.0182","","","0.0442","0.0445","","","","","","1.096","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7044830","47.294","0.005","15.6118","0.0017","22.614","0.003","90","","90","","90","","16697","3","296","2","296","2","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Fe8 In32 S65 -","- Fe8 In32 S65 -","- Fe16 In64 S130 -","2","0.25","","Luo, Min; Yang, Huajun; Wang, Wei; Xue, Chaozhuang; Wu, Tao","A unique non-interpenetrated open-framework chalcogenide with a large cavity.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","49","52","10.1039/c7dt03988c","","","0.71073","MoKα","","0.0856","0.0476","","","0.0817","0.0883","","","","","","1.049","","","","has coordinates","229381","2020-10-21","18:00:00",""
"7046285","15.0786","0.001","18.8242","0.001","7.2176","0.0005","90","","90","","90","","2048.7","0.2","173","2","173","","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C16 H12 Mo6 Na6 O32 -","- C16 H12 Mo6 Na6 O32 -","- C32 H24 Mo12 Na12 O64 -","2","0.25","","Wang, Si-Yuan; Jin, Wan-Ting; Chen, Hong-Bin; Zhou, Zhao-Hui","Comparison of hydroxycarboxylato imidazole molybdenum(iv) complexes and nitrogenase protein structures: indirect evidence for the protonation of homocitrato FeMo-cofactors.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7412","7421","10.1039/c8dt00278a","","","1.54184","CuKα","","0.0559","0.0546","","","0.1511","0.1541","","","","","","1.062","","","","has coordinates","229263","2020-10-21","18:00:00",""
"7051868","19.336","0.004","24.529","0.005","5.4514","0.0011","90","","90","","90","","2585.6","0.9","153","2","153","2","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C18 H23 O16 S3 Tb -","- C18 H23 O16 S3 Tb -","- C72 H92 O64 S12 Tb4 -","4","0.5","","Yang, Xiaoping; Rivers, Joseph H.; McCarty, W. Jeffrey; Wiester, Michael; Jones, Richard A.","Synthesis and structures of luminescent ladder-like lanthanide coordination polymers of 4-hydroxybenzenesulfonate","New Journal of Chemistry","2008","32","5","790","","10.1039/b718590a","","","0.71073","MoKα","","0.0499","0.0437","","","0.1142","0.1178","","","","","","1.129","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051869","19.219","0.004","24.277","0.005","5.425","0.0011","90","","90","","90","","2531.2","0.9","153","2","153","2","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C18 H23 Er O16 S3 -","- C18 H23 Er O16 S3 -","- C72 H92 Er4 O64 S12 -","4","0.5","","Yang, Xiaoping; Rivers, Joseph H.; McCarty, W. Jeffrey; Wiester, Michael; Jones, Richard A.","Synthesis and structures of luminescent ladder-like lanthanide coordination polymers of 4-hydroxybenzenesulfonate","New Journal of Chemistry","2008","32","5","790","","10.1039/b718590a","","","0.71073","MoKα","","0.1942","0.0734","","","0.1362","0.1745","","","","","","0.983","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051870","19.244","0.004","24.149","0.005","5.4176","0.0011","90","","90","","90","","2517.7","0.9","153","2","153","2","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C18 H23 O16 S3 Yb -","- C18 H23 O16 S3 Yb -","- C72 H92 O64 S12 Yb4 -","4","0.5","","Yang, Xiaoping; Rivers, Joseph H.; McCarty, W. Jeffrey; Wiester, Michael; Jones, Richard A.","Synthesis and structures of luminescent ladder-like lanthanide coordination polymers of 4-hydroxybenzenesulfonate","New Journal of Chemistry","2008","32","5","790","","10.1039/b718590a","","","0.71073","MoKα","","0.0741","0.0527","","","0.129","0.1408","","","","","","1.104","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7055322","9.787","0.002","12.157","0.002","15.182","0.003","90","","90","","90","","1806.4","0.6","293","2","293","","","","","","","","","4","I m m 2","I 2 -2","44","","","","- C18 H12 Ni3 O16 -","- C18 H12 Ni3 O16 -","- C36 H24 Ni6 O32 -","2","0.25","","Liu, Sui-Jun; Han, Song-De; Chang, Ze; Bu, Xian-He","Cluster- and chain-based magnetic MOFs derived from 3d metal ions and 1,3,5-benzenetricarboxylate","New J. Chem.","2016","40","3","2680","","10.1039/C5NJ02161H","","","0.71073","MoKα","","0.034","0.0323","","","0.0762","0.0769","","","","","","1.118","","","","has coordinates","181775","2020-10-21","18:00:00",""
"7100239","13.856","0.007","10.659","0.006","11.177","0.006","90","","90","","90","","1650.7","1.5","293","2","293","2","","","","","","","","7","I m m 2","I 2 -2","44","","","","- C10.5 H7.25 Ag B0.5 F2 N6.25 O1.5 -","- C10.5 H6.75 Ag B0.5 F2 N6.25 O1.5 -","- C42 H27 Ag4 B2 F8 N25 O6 -","4","0.5","","Miao Du.; S. Batten; Jian-Hua Guo.; Xiao-Jun Zhao.","Direction of topological isomers of silver(I) coordination polymers induced by solvent, and selective anion-exchange of a class of PtS-type host frameworks","Chemical Communications","2005","","","","","10.1039/b508479b","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204158","11.2089","0.0007","11.2083","0.0006","8.4747","0.0005","90","","90","","90","","1064.7","0.11","293","2","293","2","","","","","","","","4","I m m 2","I 2 -2","44","","","","- C8 Cd2 O22.31 Zr -","- C8 Cd2 O22.31 Zr -","- C16 Cd4 O44.62 Zr2 -","2","0.25","","Jeanneau, Erwann; Audebrand, Nathalie; Auffrédic, Jean-Paul; Louër, Daniel","Crystal structure, thermal behaviour and zeolitic properties of Cd2Zr(C2O4)4·(4 + n)H2O","Journal of Materials Chemistry","2001","11","10","2545","","10.1039/b103711k","","","0.71073","MoKα","","0.1011","0.0677","","","0.1719","0.192","","","","","","1.09","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7209383","4.601","","7.371","","7.881","","90","","90","","90","","267.276","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Eu Au Ge","","- Au Eu Ge -","- Au Eu Ge -","- Au4 Eu4 Ge4 -","4","0.5","","Poettgen, R.","Crystal structure, magnetic susceptibility and electrical conductivity of Eu Au Ge: a new ordered version of the Ce Cu2 - type structure","Journal of Materials Chemistry","1995","5","","505","508","10.1039/jm9950500505","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7221076","8.2788","","9.5757","","4.9158","","90","","90","","90","","389.702","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Sr2 (Al2 Si10 N14 O4)","","- Al2 N14 O4 Si10 Sr2 -","- Al2 N14 O4 Si10 Sr2 -","- Al2 N14 O4 Si10 Sr2 -","1","0.125","","Shen, Z.-J.; Esmaeilzadeh, S.; Grins, J.; Ehrenberg, H.","Preparation and crystal structure of a new Sr containing sialon phase Sr2 Alx Si12-x N16-x O2+x (x=2)","Journal of Materials Chemistry","1999","9","","1019","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","141118","2020-10-21","18:00:00",""
"7222695","5.826","","66.878","","8.235","","90","","90","","90","","3208.61","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","Sr2.33 In0.92","","- In0.92 Sr2.33 -","- In0.916667 Sr2.33333 -","- In22 Sr56 -","24","3","","Wendorff, M.; Roehr, C.","Neue Erdalkalimetall-reiche binaere Indide: Ca2 In, Sr28 In11 und Sr5 In3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","619","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","164221","2020-10-21","18:00:00",""
"8103429","4.397","","7.023","","7.572","","90","","90","","90","","233.824","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Yb Au Si","","- Au Si Yb -","- Au Si Yb -","- Au4 Si4 Yb4 -","4","0.5","","Pani, M.; Fornasini, M.L.; Merlo, F.","New phases in the Yb - Au - Si and Ca - Au - Si systems","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","108","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103432","4.454","","7.139","","7.667","","90","","90","","90","","243.788","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Ca Au1.208 Si0.792","","- Au1.208 Ca Si0.792 -","- Au1.208 Ca Si0.792 -","- Au4.832 Ca4 Si3.168 -","4","0.5","","Fornasini, M.L.; Merlo, F.; Pani, M.","New phases in the Yb - Au - Si and Ca - Au - Si systems","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","108","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103550","5.586","","3.696","","22.779","","90","","90","","90","","470.292","","","","","","","","","","","","","4","I m m 2","I 2 -2","44","","Ca2.25 (Si3 O7.5 (O H)1.5) (H2 O)","","- Ca2.25 H3.5 O10 Si3 -","- Ca2.25 O10 Si3 -","- Ca4.5 O20 Si6 -","2","0.25","","Hamid, S.A.","The crystal structure of the 11Angs. natural tobermorite Ca2.25 (Si3 O7.5 (O H)1.5) (H2 O)","Zeitschrift fuer Kristallographie (149,1979-)","1981","154","","189","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104468","8.337","","10.724","","5.116","","90","","90","","90","","457.401","","","","","","","","","","","","","4","I m m 2","I 2 -2","44","","Zn4 Si2 O7 (O H)2 (H2 O)","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Cooper, B.J.; Gibbs, G.V.; Ross, F.K.","The effects of heating and dehydration on the crystal structure of hemimorphite up to 600 degrees C","Zeitschrift fuer Kristallographie (149,1979-)","1981","156","","305","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","174102","2020-10-21","18:00:00",""
"8104494","8.268","","10.784","","5.113","","90","","90","","90","","455.886","","","","","","","","","","","","","4","I m m 2","I 2 -2","44","","Zn4 (Si2 O7) (O H)2","","- H2 O9 Si2 Zn4 -","- O9 Si2 Zn4 -","- O18 Si4 Zn8 -","2","0.25","","Cooper, B.J.; Ross, F.K.; Gibbs, G.V.","The effects of heating and dehydration on the crystal structure of hemimorphite up to 600 degrees C","Zeitschrift fuer Kristallographie (149,1979-)","1981","156","","305","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","174225","2020-10-21","18:00:00",""
"9004535","4.84","","9.273","","4.298","","90","","90","","90","","192.9","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","","Rutherfordine","- C O5 U -","- C O5 U -","- C2 O10 U2 -","2","0.25","","Finch, R. J.; Cooper, M. A.; Hawthorne, F. C.; Ewing, R. C.","Refinement of the crystal structure of rutherfordine","The Canadian Mineralogist","1999","37","","929","938","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004677","3.865","","3.862","","13.675","","90","","90","","90","","204.122","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","","Bismutite","- C Bi2 O5 -","- C Bi2 O5 -","- C2 Bi4 O10 -","2","0.25","","Grice, J. D.","A solution to the crystal structures of bismutite and beyerite","The Canadian Mineralogist","2002","40","","693","698","10.2113/gscanmin.40.2.693","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9005311","8.181","","10.841","","5.081","","90","","90","","90","","450.635","","","","110","","","","","","","","","4","I m m 2","I 2 -2","44","","","Hemimorphite","- H2 O9 Si2 Zn4 -","- H2 O9 Si2 Zn4 -","- H4 O18 Si4 Zn8 -","2","0.25","","Libowitzky, E.; Kohler, T.; Armbruster, T.; Rossman, G. R.","Proton disorder in dehydrated hemimorphite - IR spectroscopy and X-ray structure refinement at low and ambient temperatures T = 110 K","European Journal of Mineralogy","1997","9","","803","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005312","8.191","","10.824","","5.088","","90","","90","","90","","451.099","","","","293","","","","","","","","","4","I m m 2","I 2 -2","44","","","Hemimorphite","- H2 O9 Si2 Zn4 -","- H2 O9 Si2 Zn4 -","- H4 O18 Si4 Zn8 -","2","0.25","","Libowitzky, E.; Kohler, T.; Armbruster, T.; Rossman, G. R.","Proton disorder in dehydrated hemimorphite - IR spectroscopy and X-ray structure refinement at low and ambient temperatures T = 293 K","European Journal of Mineralogy","1997","9","","803","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9008122","8.373","","10.718","","5.12","","90","","90","","90","","459.478","","","","","","","","","","","","sample is from the same batch of crystals used by","4","I m m 2","I 2 -2","44","","","Hemimorphite","- H2 O5 Si Zn2 -","- H2 O5 Si Zn2 -","- H8 O20 Si4 Zn8 -","4","0.5","","McDonald, W. S.; Cruickshank, D. W. J.","Refinement of the structure of hemimorphite Barclay and Cox (1960) Note: Photographic Data","Zeitschrift fur Kristallographie","1967","124","","180","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9008123","8.373","","10.718","","5.12","","90","","90","","90","","459.478","","","","","","","","","","","","sample is from the same batch of crystals used by","4","I m m 2","I 2 -2","44","","","Hemimorphite","- H2 O5 Si Zn2 -","- H2 O5 Si Zn2 -","- H8 O20 Si4 Zn8 -","4","0.5","","McDonald, W. S.; Cruickshank, D. W. J.","Refinement of the structure of hemimorphite Barclay and Cox (1960) Note: Diffractometer Data","Zeitschrift fur Kristallographie","1967","124","","180","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9008269","8.367","","10.73","","5.115","","90","","90","","90","","459.214","","","","","","","","","","","","","4","I m m 2","I 2 -2","44","","","Hemimorphite","- H2 O5 Si Zn2 -","- H2 O5 Si Zn2 -","- H8 O20 Si4 Zn8 -","4","0.5","","Hill, R. J.; Gibbs, G. V.; Ross, F. K.; Williams, J. M.","A neutron-diffraction study of hemimorphite","Zeitschrift fur Kristallographie","1977","146","","241","259","10.1524/zkri.1977.146.4-6.241","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9010665","5.522","","17.106","","9.175","","90","","90","","90","","866.664","","","","","","","","","","","","La Fossa Crater, Vulcano, Aeolian Islands, Italy","5","I m m 2","I 2 -2","44","","","Knasibfite","- B F22 K3 Na4 Si3 -","- B F22 K3 Na4 Si3 -","- B2 F44 K6 Na8 Si6 -","2","0.25","","Demartin, F.; Gramaccioli, C. M.; Campostrini, I.; Orlandi, P.","Knasibfite, K3Na4[SiF6]3[BF4], a new hexafluorosilicate-tetrafluoroborate from La Fossa Crater, Vulcano, Aeolian Islands, Italy","The Canadian Mineralogist","2008","46","","447","453","10.3749/canmin.46.2.447","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9012179","7.051","","9.968","","7.285","","90","","90","","90","","512.022","","","","","","","","","","","","Ivigtut, Greenland","4","I m m 2","I 2 -2","44","","","Weberite","- Al F7 Mg Na2 -","- Al F7 Mg Na2 -","- Al4 F28 Mg4 Na8 -","4","0.5","","Knop, O.; Cameron, T. S.; Jochem, K.","What is the true space group of weberite? Sample: Imm2 refinement, T = ambient","Journal of Solid State Chemistry","1982","43","","213","221","10.1016/0022-4596(82)90231-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012180","7.05","","9.979","","7.297","","90","","90","","90","","513.358","","","","133","","","","","","","","Ivigtut, Greenland","4","I m m 2","I 2 -2","44","","","Weberite","- Al F7 Mg Na2 -","- Al F7 Mg Na2 -","- Al4 F28 Mg4 Na8 -","4","0.5","","Knop, O.; Cameron, T. S.; Jochem, K.","What is the true space group of weberite? Sample: Imm2 refinement, T = 133 K","Journal of Solid State Chemistry","1982","43","","213","221","10.1016/0022-4596(82)90231-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9014886","9.9522","","2.7397","","5.9953","","90","","90","","90","","163.468","","","","","","","","","","","","Synthetic","3","I m m 2","I 2 -2","44","","","","- Fe O7 Ti3 -","- Fe O7 Ti3 -","- Fe2 O14 Ti6 -","2","0.25","","Nishio-Hamane D; Zhang, M.; Yagi, T.; Ma, Y.","High-pressure and high-temperature phase transitions in FeTiO3 and a new dense FeTi3O7 structure Note: P = 61 GPa, T = 300 K","American Mineralogist","2012","97","","568","572","10.2138/am.2012.3973","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""