# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T14:24:39+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P -4 21 m' 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
"1000048","7.685","0.0004","7.685","0.0004","5.0636","0.0003","90","","90","","90","","299.1","","","","","","","","","","annealed at 1250 C for 2 d","","synthetic, glas annealed at 1250 C for 2 d","4","P -4 21 m","P -4 2ab","113","","Dicalcium aluminium alumosilicate","Gehlenite","- Al2 Ca2 O7 Si -","- Al2 Ca2 O7 Si -","- Al4 Ca4 O14 Si2 -","2","0.25","","Swainson, I P; Dove, M T; Schmahl, W W; Putnis, A","Neutron Diffraction Study of the Akermanite-Gehlenite Solid Solution Series","Physics and Chemistry of Minerals (Germany)","1992","19","","185","195","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000068","4.6819","0.0002","4.6819","0.0002","9.2757","0.0005","90","","90","","90","","203.3","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Lithium niobium tungstate -$-alpha","","- Li Nb O6 W -","- Li Nb O6 W -","- Li2 Nb2 O12 W2 -","2","0.25","","Fourquet, J L; Le Bail, A; Gillet, P A","Li Nb W O~6~: Crystal structure of its two allotropic forms","Materials Research Bulletin","1988","23","","1163","1170","10.1016/0025-5408(88)90207-3","","","","","","0.0974","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000069","4.6818","0.0006","4.6818","0.0006","9.2754","0.0015","90","","90","","90","","203.3","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Lithium niobium tungstate -$-alpha","","- Li Nb O6 W -","- Li Nb O6 W -","- Li2 Nb2 O12 W2 -","2","0.25","","Fourquet, J L; Le Bail, A; Gillet, P A","Li Nb W O~6~: Crystal structure of its two allotropic forms","Materials Research Bulletin","1988","23","","1163","1170","10.1016/0025-5408(88)90207-3","","","","","","0.0822","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007103","7.81","","7.81","","5.17","","90","","90","","90","","315.3","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Calcium lanthanum trialuminium oxide","","- Al3 Ca La O7 -","","","2","0.25","","Durif, A; Forrat, F","Gallates et aluminates isomorphes de la Gehlenite","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1958","81","","107","109","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1008775","5.576","","5.576","","4.692","","90","","90","","90","","145.9","","","","100","","","","","","","","synthetic from solution","4","P -4 21 m","P -4 2ab","113","","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C","Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","237","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1008776","5.661","","5.661","","4.712","","90","","90","","90","","151","","","","","","","","","","","","synthetic by evaporation at 316 K","4","P -4 21 m","P -4 2ab","113","","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Worsham, J E jr.; Levy, H A; Peterson, S W","The positions of hydrogen atoms in urea by neutron diffraction","Acta Crystallographica (1,1948-23,1967)","1957","10","","319","323","10.1107/S0365110X57000924","","","","","","","","","","","","","","","","","","","","","has coordinates","186305","2020-10-21","18:00:00",""
"1008785","5.645","0.003","5.645","0.003","4.704","0.003","90","","90","","90","","149.9","","","","293","","","","","","","","synthetic from solution","4","P -4 21 m","P -4 2ab","113","Urea","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C","Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","237","254","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1008786","5.578","0.005","5.578","0.005","4.695","0.005","90","","90","","90","","146.1","","","","123","","","","","","","","synthetic from solution","4","P -4 21 m","P -4 2ab","113","Urea","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C","Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","237","254","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1008787","5.572","0.008","5.572","0.008","4.686","0.008","90","","90","","90","","145.5","","","","60","","","","","","","","synthetic from solution","4","P -4 21 m","P -4 2ab","113","Urea","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C","Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","237","254","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010215","7.73","","7.73","","5.01","","90","","90","","90","","299.4","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Dicalcium magnesium disilicate","","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Warren, B E","The Structure of Melitite (Ca, Na)~2~ (Mg, Al)~1~ (Si, Al)~2~ O~7~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","131","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011002","7.69","","7.69","","5.1","","90","","90","","90","","301.6","","","","","","","","","","","","synthetic","4","P -4 21 m","P -4 2ab","113","","Dicalcium dialuminium silicate trioxide","Gehlenite","- Al2 Ca2 O7 Si -","- Al2 Ca2 O7 Si -","- Al4 Ca4 O14 Si2 -","2","0.25","","Raaz, F","Ueber den Feinbau des Gehlenit. Ein Beitrag zur Kenntnis der Melilithe","Sitzungsberichte der Akademie der Wissenschaften in Wien, Mathematisch- Naturwissenschaftliche Klasse, Abteilung 1: Mineralogie, Biologie, Erdkunde","1930","139","","645","672","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011059","10","","10","","6.65","","90","","90","","90","","665","","","","","","","","","","","","artificial","5","P -4 21 m","P -4 2ab","113","","Thallium tecto-20-oxotetraalumohexasilicate pentahydrate","Edingtonite (Tl)","- Al4 H10 O25 Si6 Tl4 -","- Al4 H5 O21.25 Si6 Tl4.0002 -","- Al4 H5 O21.25 Si6 Tl4.0002 -","1","0.125","","Taylor, W H","An X-ray examination of substituted Edingtonites.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1935","24","","208","240","10.1180/minmag.1935.024.151.03","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011252","7.846","","7.846","","5","","90","","90","","90","","307.8","","","","","","","","","","","","from Franklin, New Jersey","4","P -4 21 m","P -4 2ab","113","","Calcium zinc silicate *","Hardystonite","- Ca2 O7 Si2 Zn -","- Ca2 O7 Si2 Zn -","- Ca4 O14 Si4 Zn2 -","2","0.25","","Warren, B E; Trautz, O R","The Structure of Hardystonite Ca2 Zn Si2 O7","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","525","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100499","14.434","0.001","14.434","0.001","7.147","0.001","90","","90","","90","","1489.01","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C28 H20 Cl I4 P -","- C28 H20 Cl I4 P -","- C56 H40 Cl2 I8 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit Diiodacetylen. Die Kristallstrukturen von PPh~4~[X(I-C≡C-I)~2~] mit X = Cl, Br, I","Chemische Berichte","1996","129","2","259","262","10.1002/cber.19961290224","","","","","","","","","","","","","","","","","","","","","has coordinates","177578","2020-10-21","18:00:00",""
"1100500","14.499","0.001","14.499","0.001","7.167","0.001","90","","90","","90","","1506.65","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C28 H20 Br I4 P -","- C28 H20 Br I4 P -","- C56 H40 Br2 I8 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit Diiodacetylen. Die Kristallstrukturen von PPh~4~[X(I-C≡C-I)~2~] mit X = Cl, Br, I","Chemische Berichte","1996","129","2","259","262","10.1002/cber.19961290224","","","","","","","","","","","","","","","","","","","","","has coordinates","177578","2020-10-21","18:00:00",""
"1100501","14.618","0.007","14.618","0.007","7.123","0.006","90","","90","","90","","1522.08","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C28 H20 I5 P -","- C28 H20 I5 P -","- C56 H40 I10 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit Diiodacetylen. Die Kristallstrukturen von PPh~4~[X(I-C≡C-I)~2~] mit X = Cl, Br, I","Chemische Berichte","1996","129","2","259","262","10.1002/cber.19961290224","","","","","","","","","","","","","","","","","","","","","has coordinates","177578","2020-10-21","18:00:00",""
"1503788","18.02","0.003","18.02","0.003","7.3542","0.0015","90","","90","","90","","2388.1","0.7","143","2","143","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C42 H52 O18 S4 -","- C42 H52 O18 S4 -","- C84 H104 O36 S8 -","2","0.25","","Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing","One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.","Organic letters","2009","11","4","923","926","10.1021/ol8028884","","","0.71073","MoKα","","0.0428","0.0343","","","0.0771","0.0792","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518139","24.415","0.003","24.415","0.003","15.337","0.004","90","","90","","90","","9142","3","296","2","296","2","","","","","","","","9","P -4 21 m","P -4 2ab","113","","","","- C40 H60 Cu3 K N8 O54 Ru Si W11 -","- C40 H32 Cu3 K N8 O53.99 Ru0.96 Si W11.04 -","- C160 H128 Cu12 K4 N32 O215.96 Ru3.84 Si4 W44.16 -","4","0.5","","Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying","Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation","Chem. Sci.","2015","6","2","1035","","10.1039/C4SC02362E","","","0.71073","MoKα","","0.1156","0.0509","","","0.1256","0.1708","","","","","","0.972","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519739","10.6034","0.0002","10.6034","0.0001","6.3943","0.0002","90","","90","","90","","718.92","0.03","120","2","120","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C10 H22 Se Sn2 -","- C10 H22 Se Sn2 -","- C20 H44 Se2 Sn4 -","2","0.25","","Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B.","C10H22SeSn2","Crystal Structure Report Archive","2004","","","1005","","","","","0.71073","MoKα","","0.0378","0.0378","","","0.0928","0.0928","","","","","","1.221","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521830","27.3569","","27.3569","","10.33","","90","","90","","90","","7730.97","","","","","","","","","","","","","3","P -4 21 m","P -4 2ab","113","","Ta83.03 V13.97 Te60","","- Ta83.03 Te60 V13.97 -","- Ta83.032 Te60 V13.968 -","- Ta166.064 Te120 V27.936 -","2","0.25","","Reich, C.; Conrad, M.; Krumreich, F.; Harbrecht, B.","The dodecagonal quasicrystalline telluride (Ta, V)1.6 Te and its crystalline approximant (Ta, V)97 Te60","Materials Research Society Symposia Proceedings","1999","553","","83","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","142046","2020-10-21","18:00:00",""
"1522252","11.08","","11.08","","4.098","","90","","90","","90","","503.097","","","","","","","","","","","","","3","P -4 21 m","P -4 2ab","113","","Sr2 Rh7 P6","","- P6 Rh7 Sr2 -","- P6 Rh7 Sr2 -","- P12 Rh14 Sr4 -","2","0.25","","Wurth, A.; Mewis, A.","Synthese und Kristallstruktur von Sr2 Rh7 P6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1486","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","142473","2020-10-21","18:00:00",""
"1522348","7.3556","","7.3556","","10.685","","90","","90","","90","","578.11","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","(Nd0.023 Gd0.977)2 (Mo O4)3","","- Gd1.954 Mo3 Nd0.046 O12 -","- Gd1.954 Mo3 Nd0.046 O12 -","- Gd3.908 Mo6 Nd0.092 O24 -","2","0.25","","Zou, Y.-Q.; Chen, L.; Gao, X.-Y.; Tang, D.-Y.; Luo, Z.-D.","Crystal structure of P4-21m phase Nd(3+): Gd2 (Mo O4)3","Jiegon Huaxue","1999","18","","447","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","142570","2020-10-21","18:00:00",""
"1524617","7.836","","7.836","","5.0087","","90","","90","","90","","307.549","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","(Ca1.96 Eu0.04) Mg (Si2 O7)","","- Ca1.96 Eu0.04 Mg O7 Si -","- Ca1.96 Eu0.04 Mg O7 Si2 -","- Ca3.92 Eu0.08 Mg2 O14 Si4 -","2","0.25","","Jiang Ling; Chang Chen-Kang; Mao Dali; Feng Chuan-Li","Concentration quenching of Eu(2+) in Ca2 Mg Si2 O7 : Eu(2+) phosphor","Materials Science and Engineering B","2003","103","","271","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525683","7.8","","7.8","","5","","90","","90","","90","","304.2","","","","","","","","","","","","","10","P -4 21 m","P -4 2ab","113","","(Ca1.85 Na0.14 Pb0.01) (Zn0.85 Al0.07 Mg0.03 Mn0.04 Fe0.02) (Si2 O7)","","- Al0.07 Ca1.85 Fe0.02 Mg0.03 Mn0.04 Na0.14 O7 Pb0.01 Si2 Zn0.85 -","- Al0.07 Ca1.85 Fe0.02 Mg0.03 Mn0.04 Na0.14 O7 Pb0.01 Si2 Zn0.85 -","- Al0.14 Ca3.7 Fe0.04 Mg0.06 Mn0.08 Na0.28 O14 Pb0.02 Si4 Zn1.7 -","2","0.25","","Bindi, L.; Roethlisberger, F.; Czank, M.; Bonazzi, P.","Hardystonite from Franklin Furnace: a natural modulated melilite","American Mineralogist","2001","86","","747","751","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525725","7.593","","7.593","","4.841","","90","","90","","90","","279.101","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Na2 Li Be2 F7","","- Be2 F7 Li Na2 -","- Be2 F7 Li Na2 -","- Be4 F14 Li2 Na4 -","2","0.25","","Brunton, G.","The crystal structure of Na2 Li Be2 F7","Materials Research Bulletin","1972","7","","641","646","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525760","12.674","","12.674","","11.72","","90","","90","","90","","1882.59","","","","","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Eu16 Sb11 -","- Eu16 Sb11 -","- Eu32 Sb22 -","2","0.25","","Chan, J.Y.; Olmstead, M.M.; Hope, H.; Kauzlarich, S.M.","Synthesis, structure, and properties of Eu16 Sb11 and Eu16 Bi11","Journal of Solid State Chemistry","2000","155","","168","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526683","12.205","","12.205","","3.774","","90","","90","","90","","562.183","","","","","","","","","","","","","1","P -4 21 m","P -4 2ab","113","","Sn.11 W O3","","- W -","- W -","- W10 -","10","1.25","","Steadman, R.","On the structure of tetragonal Tin-Tungsten bronzes","Materials Research Bulletin","1972","7","","1143","1150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526816","5.284","","5.284","","9.0595","","90","","90","","90","","252.947","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Cd Te Mo O6","","- Cd Mo O6 Te -","- Cd Mo O6 Te -","- Cd2 Mo2 O12 Te2 -","2","0.25","","Laligant, Y.","X-ray and TEM studies of Cd Te Mo O6 and Co Te Mo O6: a new superstructure of fluorite type with cation and anion deficiencies ((vac) Co Te Mo) ((vac)2 O6)","Journal of Solid State Chemistry","2001","160","","401","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527783","23.33","","23.33","","3.797","","90","","90","","90","","2066.67","","","","","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","W5 O14","","- O14 W5 -","- O14 W5 -","- O112 W40 -","8","1","","McColm, I.J.; Steadman, R.; Wilson, S.J.","Iron-promoted phases in the tungsten-oxygen system","Journal of Solid State Chemistry","1978","23","","33","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","149525","2020-10-21","18:00:00",""
"1527886","5.465","","5.465","","5.327","","90","","90","","90","","159.097","","","","","","","","","","","","","3","P -4 21 m","P -4 2ab","113","","Yb O O H","","- H O2 Yb -","- O2 Yb -","- O8 Yb4 -","4","0.5","","Norlund Christensen, A.; Hazell, R.G.","The Crystal Structure of the Tetragonal Modification of Yb O O H","Acta Chemica Scandinavica (1-27,1973-42,1988)","1972","26","","1171","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528745","6.406","","6.406","","4.279","","90","","90","","90","","175.597","","","","","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Cu3 Se2 -","- Cu3 Se2 -","- Cu6 Se4 -","2","0.25","","Morimoto, N.; Koto, K.","Crystal structure of umangite, Cu3 Se2","Science","1966","153","","345","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528824","9.9305","","9.9305","","14.5741","","90","","90","","90","","1437.22","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Li3 (U O2)7 (P O4)5 O","","- Li3 O35 P5 U7 -","- Li3 O35 P5 U7 -","- Li6 O70 P10 U14 -","2","0.25","","Renard, C.; Obbade, S.; Abraham, F.","Channels occupany and distortion in new lithium uranyl phosphates with three-dimensional open-frameworks","Journal of Solid State Chemistry","2009","182","","1377","1386","","","","","","","","","","","","","","","","","","","","","","has coordinates","151542","2020-10-21","18:00:00",""
"1529619","7.896","","7.896","","5.207","","90","","90","","90","","324.64","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Ca2 Ga (Ga Ge) O7","","- Ca2 Ga2 Ge O7 -","- Ca2 Ga2 Ge O7 -","- Ca4 Ga4 Ge2 O14 -","2","0.25","","Belokoneva, E.L.; Belov, N.V.","The crystal structure of the synthetic Ga, Ge-Gelenite Ca2 Ga2 Ge O7 = Ca2 Ga (Ga Ge) O7 and its comparison with the structure Ca3 Ga2 Ge4 O14 = Ca3 Ge ((Ga2 Ge) Ge2 O14)","Doklady Akademii Nauk SSSR","1981","260","","1363","1366","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530431","7.738","","7.738","","5.045","","90","","90","","90","","302.078","","","","","","","","","","","","","7","P -4 21 m","P -4 2ab","113","","(Ca1.96 Na.05) (Mg.24 Al.64 Fe.12) (Si1.39 Al.61) O7","","- Al1.25 Ca1.96 Fe0.12 Mg0.24 Na0.05 O7 Si1.39 -","- Al1.25 Ca1.95 Fe0.12 Mg0.24 Na0.05 O7 Si1.39 -","- Al2.5 Ca3.9 Fe0.24 Mg0.48 Na0.1 O14 Si2.78 -","2","0.25","","Mokeeva, V.I.; Makarov, E.S.","The isomorphism in melilites - the refinement of the crystal structures of akermanite and the intermediate melilite","Geokhimiya","1979","1979","","1541","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","155532","2020-10-21","18:00:00",""
"1530701","12.07","","12.07","","4.39","","90","","90","","90","","639.557","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Rb F H2 O2","","- F H2 O2 Rb -","- F H2 O2 Rb -","- F8 H16 O16 Rb8 -","8","1","","Sarin, V.A.; Dudarev, V.Ya.; Dobrynina, T.A.; Zavodnik, V.E.; Fykin, L.E.","X-ray and neutron structural investigation of Rb F * H2 O2 crystals","Kristallografiya","1977","22","","982","987","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531636","7.281","","7.281","","4.755","","90","","90","","90","","252.077","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Y2 Si (Be2 O7)","","- Be2 O7 Si Y2 -","- Be2 O7 Si Y2 -","- Be4 O14 Si2 Y4 -","2","0.25","","Kuz'micheva, G.M.; Rybakov, V.B.; Kutovoi, S.A.; Panyutin, V.L.; Oleinik, A.Yu.; Plashkarev, O.G.","Preparation, structure and properties of new laser crystals Y2 Si Be2 O7 and Y2 Al (Be B) O7","Neorganicheskie Materialy","2002","38","","72","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531641","7.267","","7.267","","4.708","","90","","90","","90","","248.626","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Y2 Be ((Al B) O7)","","- Al B Be O7 Y2 -","- Al B Be O7 Y2 -","- Al2 B2 Be2 O14 Y4 -","2","0.25","","Kuz'micheva, G.M.; Rybakov, V.B.; Kutovoi, S.A.; Panyutin, V.L.; Oleinik, A.Yu.; Plashkarev, O.G.","Preparation, structure and properties of new laser crystals Y2 Si Be2 O7 and Y2 Al (Be B) O7","Neorganicheskie Materialy","2002","38","","72","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534296","5.375","","5.375","","4.012","","90","","90","","90","","115.909","","","","","","","","","","","","","3","P -4 21 m","P -4 2ab","113","","","","- Cr3 Ge N -","- Cr3 Ge N -","- Cr6 Ge2 N2 -","2","0.25","","Boller, H.","Bie Kristallstruktur von Cr3 Ge N","Monatshefte fuer Chemie (-108,1977)","1969","100","","1471","1476","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535257","10.8959","","10.8959","","3.9479","","90","","90","","90","","468.697","","","","","","","","","","","","","3","P -4 21 m","P -4 2ab","113","","Nb O Cl3","","- Cl3 Nb O -","- Cl3 Nb O -","- Cl12 Nb4 O4 -","4","0.5","","Stroebele, M.; Meyer, H.J.","Neubestimmung der Struktur von NbOCl3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","488","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536207","8.169","","8.169","","5.337","","90","","90","","90","","356.152","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Sr2 Zn (Ge2 O7)","","- Ge2 O7 Sr2 Zn -","- Ge2 O7 Sr2 Zn -","- Ge4 O14 Sr4 Zn2 -","2","0.25","","Ochi, Y.; Tanaka, K.; Morikawa, H.; Marumo, F.","The crystal structure of Sr2 Zn Ge2 O7","Kobutsugaku Zasshi (= Journal of the Mineralogical Society of Japan)","1982","15","","331","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536210","7.695","","7.695","","4.968","","90","","90","","90","","294.17","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","La2 Ge (Be2 O7)","","- Be2 Ge La2 O7 -","- Be2 Ge La2 O7 -","- Be4 Ge2 La4 O14 -","2","0.25","","Ochi, Y.; Morikawa, H.; Marumo, F.; Nozaki, H.","Structures and Magnetic Properties of Rare Earth Compounds in the Melilite Group","Journal of the Ceramic Association, Japan","1983","91","1053","229","235","10.2109/jcersj1950.91.1053_229","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536213","7.611","","7.611","","4.919","","90","","90","","90","","284.944","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Pr2 Ge (Be2 O7)","","- Be2 Ge O7 Pr2 -","- Be2 Ge O7 Pr2 -","- Be4 Ge2 O14 Pr4 -","2","0.25","","Ochi, Y.; Morikawa, H.; Marumo, F.; Nozaki, H.","Structures and Magnetic Properties of Rare Earth Compounds in the Melilite Group","Journal of the Ceramic Association, Japan","1983","91","1053","229","235","10.2109/jcersj1950.91.1053_229","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536216","7.528","","7.528","","4.859","","90","","90","","90","","275.363","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Sm2 Ge (Be2 O7)","","- Be2 Ge O7 Sm2 -","- Be2 Ge O7 Sm2 -","- Be4 Ge2 O14 Sm4 -","2","0.25","","Ochi, Y.; Morikawa, H.; Marumo, F.; Nozaki, H.","Structures and Magnetic Properties of Rare Earth Compounds in the Melilite Group","Journal of the Ceramic Association, Japan","1983","91","1053","229","235","10.2109/jcersj1950.91.1053_229","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536219","7.48","","7.48","","4.842","","90","","90","","90","","270.912","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Gd2 Ge (Be2 O7)","","- Be2 Gd2 Ge O7 -","- Be2 Gd2 Ge O7 -","- Be4 Gd4 Ge2 O14 -","2","0.25","","Ochi, Y.; Morikawa, H.; Marumo, F.; Nozaki, H.","Structures and Magnetic Properties of Rare Earth Compounds in the Melilite Group","Journal of the Ceramic Association, Japan","1983","91","1053","229","235","10.2109/jcersj1950.91.1053_229","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536221","7.428","","7.428","","4.809","","90","","90","","90","","265.337","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Dy2 Ge (Be2 O7)","","- Be2 Dy2 Ge O7 -","- Be2 Dy2 Ge O7 -","- Be4 Dy4 Ge2 O14 -","2","0.25","","Ochi, Y.; Morikawa, H.; Marumo, F.; Nozaki, H.","Structures and Magnetic Properties of Rare Earth Compounds in the Melilite Group","Journal of the Ceramic Association, Japan","1983","91","1053","229","235","10.2109/jcersj1950.91.1053_229","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536225","7.399","","7.399","","4.797","","90","","90","","90","","262.613","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Y2 Ge (Be2 O7)","","- Be2 Ge O7 Y2 -","- Be2 Ge O7 Y2 -","- Be4 Ge2 O14 Y4 -","2","0.25","","Ochi, Y.; Morikawa, H.; Marumo, F.; Nozaki, H.","Structures and Magnetic Properties of Rare Earth Compounds in the Melilite Group","Journal of the Ceramic Association, Japan","1983","91","1053","229","235","10.2109/jcersj1950.91.1053_229","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536229","7.38","","7.38","","4.786","","90","","90","","90","","260.667","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Er2 Ge (Be2 O7)","","- Be2 Er2 Ge O7 -","- Be2 Er2 Ge O7 -","- Be4 Er4 Ge2 O14 -","2","0.25","","Ochi, Y.; Morikawa, H.; Marumo, F.; Nozaki, H.","Structures and Magnetic Properties of Rare Earth Compounds in the Melilite Group","Journal of the Ceramic Association, Japan","1983","91","1053","229","235","10.2109/jcersj1950.91.1053_229","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537167","7.676","","7.676","","5.04","","90","","90","","90","","296.962","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Ca Y Al3 O7","","- Al3 Ca O7 Y -","- Al3 Ca O7 Y -","- Al6 Ca2 O14 Y2 -","2","0.25","","Kuz'micheva, G.M.; Denisov, A.L.; Rybakov, V.B.; Mukhin, B.V.; Smirnov, V.A.; Zharikov, E.V.","Characteristic features of isomorphism in Ca Y Al3 O7 melilites, containing ions of chromium","Zhurnal Neorganicheskoi Khimii","1995","40","","569","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537171","7.679","","7.679","","5.042","","90","","90","","90","","297.312","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Ca Y (Al2.91 Cr0.09) O7","","- Al2.91 Ca Cr0.09 O7 Y -","- Al2.91 Ca Cr0.09 O7 Y -","- Al5.82 Ca2 Cr0.18 O14 Y2 -","2","0.25","","Kuz'micheva, G.M.; Mukhin, B.V.; Rybakov, V.B.; Zharikov, E.V.; Denisov, A.L.; Smirnov, V.A.","Characteristic features of isomorphism in Ca Y Al3 O7 melilites, containing ions of chromium","Zhurnal Neorganicheskoi Khimii","1995","40","","569","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537175","7.68","","7.68","","5.042","","90","","90","","90","","297.389","","","","","","","","","","","","","6","P -4 21 m","P -4 2ab","113","","Ca Y Al2.91 Cr0.06 B0.03 O7","","- Al2.91 B0.03 Ca Cr0.06 O7 Y -","- Al2.91 B0.03 Ca Cr0.06 O7 Y -","- Al5.82 B0.06 Ca2 Cr0.12 O14 Y2 -","2","0.25","","Kuz'micheva, G.M.; Mukhin, B.V.; Rybakov, V.B.; Denisov, A.L.; Smirnov, V.A.; Zharikov, E.V.","Characteristic features of isomorphism in Ca Y Al3 O7 melilites, containing ions of chromium","Zhurnal Neorganicheskoi Khimii","1995","40","","569","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537179","7.6877","","7.6877","","5.0659","","90","","90","","90","","299.398","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Ca2 Al (Al (Si0.974 Cr0.026) O7)","","- Al2 Ca2 Cr0.026 O7 Si0.974 -","- Al2 Ca2 Cr0.026 O7 Si0.974 -","- Al4 Ca4 Cr0.052 O14 Si1.948 -","2","0.25","","Kuz'micheva, G.M.; Zharikov, E.V.; Denisov, A.L.","X-ray structural study of synthetic gehlenites Ca2 Al (Al Si) O7 and akermanites Ca2 Mg Si2 O7, doped with chromium ions","Zhurnal Neorganicheskoi Khimii","1995","40","","1422","1428","","","","","","","","","","","","","","","","","","","","","","has coordinates","165202","2020-10-21","18:00:00",""
"1537182","7.69","","7.69","","5.0714","","90","","90","","90","","299.903","","","","","","","","","","","","","6","P -4 21 m","P -4 2ab","113","","Ca2 Al (Al.5 B.5 Si.5 Cr.5 O7)","","- Al1.5 B0.5 Ca2 Cr0.5 O7 Si0.5 -","- Al1.5 B0.5 Ca2 Cr0.5 O7 Si0.5 -","- Al3 B Ca4 Cr O14 Si -","2","0.25","","Kuz'micheva, G.M.; Zharikov, E.V.; Denisov, A.L.","X-ray structural study of synthetic gehlenites Ca2 Al (Al Si) O7 and akermanites Ca2 Mg Si2 O7, doped with chromium ions","Zhurnal Neorganicheskoi Khimii","1995","40","","1422","1428","","","","","","","","","","","","","","","","","","","","","","has coordinates","165205","2020-10-21","18:00:00",""
"1537186","7.835","","7.835","","5.008","","90","","90","","90","","307.427","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Ca2 Mg ((Si0.99 Cr0.01)2 O7)","","- Ca2 Cr0.02 Mg O7 Si1.98 -","- Ca2 Cr0.02 Mg O7 Si1.98 -","- Ca4 Cr0.04 Mg2 O14 Si3.96 -","2","0.25","","Kuz'micheva, G.M.; Zharikov, E.V.; Denisov, A.L.","X-ray structural study of synthetic gehlenites Ca2 Al (Al Si) O7 and akermanites Ca2 Mg Si2 O7, doped with chromium ions","Zhurnal Neorganicheskoi Khimii","1995","40","","1422","1428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537220","7.734","","7.734","","5.048","","90","","90","","90","","301.945","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","(Ca0.97 Zn0.03)2 (Al0.63 Zn0.37) (Si0.69 Al0.31)2 O7","","- Al1.25 Ca1.94 O7 Si1.38 Zn0.43 -","- Al1.25 Ca1.94 O7 Si1.38 Zn0.43 -","- Al2.5 Ca3.88 O14 Si2.76 Zn0.86 -","2","0.25","","Rozhdestvenskaya, I.V.; Bannova, I.I.; Timoshenko, T.I.; Barbanyagre, V.D.; Shamshurov, V.M.","Refinement of the Ca2 (Al,Zn)(Si,Al)2 O7 crystal structure. Isomorphism in the structures of the helenite-hardystonite series","Kristallografiya","1995","40","","681","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","165250","2020-10-21","18:00:00",""
"1537544","7.797","","7.797","","5.132","","90","","90","","90","","311.991","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Ca2 Ga2 (Si O4) O3","","- Ca2 Ga2 O7 Si -","- Ca2 Ga2 O7 Si -","- Ca4 Ga4 O14 Si2 -","2","0.25","","Korczak, P.; Raaz, F.","Verfeinerung der Kristallstruktur von Gehlenit unter Zugrundelegung des Gallium-Gehlenites.","Anzeiger der Oesterreichischen Akademie der Wissenschaften, Mathematisch-Naturwissenschaftliche Klasse","1967","104","","383","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539086","10.184","","10.184","","5.306","","90","","90","","90","","550.306","","","","","","","","","","","","","1","P -4 21 m","P -4 2ab","113","","","","- Ta -","- Ta -","- Ta30 -","30","3.75","","Shamrai, V.F.; Warhulska, A.V.; Arakcheeva, A.V.; Grinevich, V.V.","Magnetic properties and crystal structure of Ta beta","Kristallografiya","2004","49","","1025","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:45",""
"1539516","7.715","","7.715","","4.88","","90","","90","","90","","290.464","","","","","","","","","","","","","3","P -4 21 m","P -4 2ab","113","","Li6 (Si2 O7)","","- Li6 O7 Si2 -","- Li6 O7 Si2 -","- Li12 O14 Si4 -","2","0.25","","Voellenkle, H.; Wittmann, A.; Nowotny, H.","Die Kristallstruktur der Verbindung Li6 (Si2 O7)","Monatshefte fuer Chemie (-108,1977)","1969","100","","295","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","168448","2020-10-21","18:00:00",""
"1540252","7.736","","7.736","","5.123","","90","","90","","90","","306.59","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Ca2 Al (Al Si O7)","","- Al2 Ca2 O7 Si -","- Al2 Ca2 O7 Si -","- Al4 Ca4 O14 Si2 -","2","0.25","","Kimata, M.; Saito, S.; Shimizu, M.","Refinement of the high-temperature crystal structure of gehlenite using a new radiative air-cooled heater","Transactions of the American Crystallographic Association","1991","27","","301","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540960","9.911","","9.911","","6.56","","90","","90","","90","","644.375","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Li5.04 Si5 Al5 O20 (H2 O)7.92","","- Al5 H15.84 Li5.04 O27.92 Si5 -","- Al5 H15.84 Li5.04 O27.92 Si5 -","- Al5 H15.84 Li5.04 O27.92 Si5 -","1","0.125","","Shepelev, Yu.F.; Butikova, I.K.; Smolin, Yu.I.","Crystal structure of the synthetic zeolite Li F","Kristallografiya","1989","34","","1302","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541863","9.581","","9.581","","6.526","","90","","90","","90","","599.058","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Ba1.952 (Al3.9 Si6.1 O20) (H2 O)7.4","","- Al3.9 Ba1.952 H14.8 O27.4 Si6.1 -","- Al3.9 Ba1.952 H14.808 O27.404 Si6.1 -","- Al3.9 Ba1.952 H14.808 O27.404 Si6.1 -","1","0.125","","Mazzi, F.; Gottardi, G.; Galli, E.","Crystal structure refinement of two tetragonal edingtonites","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1984","1984","","373","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542128","8.118","","8.118","","5.142","","90","","90","","90","","338.868","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Sr1.928 Mn1.02 (Si2.056 O7)","","- Mn1.02 O7 Si2.056 Sr1.928 -","- Mn1.02 O7 Si2.056 Sr1.928 -","- Mn2.04 O14 Si4.112 Sr3.856 -","2","0.25","","Kimata, M.","The structural properties and mineralogical significance of synthetic Sr2 Mn Si2 O7 melilite with 4-coordinated manganese","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1985","1985","","83","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","174142","2020-10-21","18:00:00",""
"1544223","5.589","0.006","5.589","0.006","4.68","0.005","90","","90","","90","","146.2","0.3","296","2","296","2","470000","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","urea","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Olejniczak, Anna; Ostrowska, Kinga; Katrusiak, Andrzej","H-Bond Breaking in High-Pressure Urea","The Journal of Physical Chemistry C","2009","113","35","15761","","10.1021/jp904942c","","","0.71073","MoKα","","0.0711","0.0645","","","0.2434","0.2572","","","","","","1.273","","","","has coordinates","186852","2020-10-21","18:00:00",""
"1544846","7.8228","0.0002","7.8228","0.0002","5.0271","0.0001","90","","90","","90","","307.639","0.013","","","","","","","","","","","","6","P -4 21 m","P -4 2ab","113","(Ca1.53 Na0.47)(Mg0.52Fe3+0.49)Si1.99O7","","synthetic melilite","- Ca1.53 Fe0.49 Mg0.52 Na0.47 O7 Si1.99 -","- Ca1.53 Fe0.485 Mg0.515 Na0.47 O7 Si2 -","- Ca3.06 Fe0.97 Mg1.03 Na0.94 O14 Si4 -","2","0.25","","Akasaka, M.; Nagashima, M.; Makino, K.; Ohashi, H.","Distribution of Fe3+ in a synthetic (Ca,Na)2(Mg,Fe3+)Si2O7-melilite: 57Fe Mossbauer and X-ray Rietveld studies","Journal of Mineralogical and Petrological Sciences","2005","100","","229","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","189336","2020-10-21","18:00:00",""
"1560257","13.6341","0.001","13.6341","0.001","14.6643","0.0011","90","","90","","90","","2725.9","0.3","133","2","133","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","2(C8 H20 N), Cl0.15 I3.85 Zn","","","- C16 H40 Cl0.15 I3.85 N2 Zn -","- C16 H40 Cl0.152 I3.848 N2 Zn -","- C64 H160 Cl0.608 I15.392 N8 Zn4 -","4","0.5","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","","","0.71073","MoKα","","0.0338","0.03","","","0.0708","0.0729","","","","","","1.075","","","","has coordinates,has disorder","261392","2021-02-03","10:18:47",""
"1560258","13.7327","0.0008","13.7327","0.0008","14.7484","0.0008","90","","90","","90","","2781.4","0.3","233","2","233","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","2(C8 H20 N), Cl0.12 I3.88 Zn","","","- C16 H40 Cl0.12 I3.88 N2 Zn -","- C16 H40 Cl0.124 I3.876 N2 Zn -","- C64 H160 Cl0.496 I15.504 N8 Zn4 -","4","0.5","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","","","0.71073","MoKα","","0.0321","0.0304","","","0.0698","0.0708","","","","","","1.094","","","","has coordinates,has disorder","261393","2021-02-03","10:19:05",""
"1560259","13.7471","0.0009","13.7471","0.0009","14.7993","0.0012","90","","90","","90","","2796.8","0.3","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","2(C8 H20 N), Cl0.18 I3.82 Zn","","","- C16 H40 Cl0.18 I3.82 N2 Zn -","- C16 H41 Cl0.18 I3.82 N2 Zn -","- C64 H164 Cl0.72 I15.28 N8 Zn4 -","4","0.5","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","","","0.71073","MoKα","","0.0501","0.0418","","","0.1042","0.1101","","","","","","1.052","","","","has coordinates,has disorder","261394","2021-02-03","10:19:29",""
"1560260","13.865","0.005","13.865","0.005","14.833","0.006","90","","90","","90","","2851.5","1.9","333","2","333","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","2(C8 H20 N), Cl0.12 I3.88 Zn","","","- C16 H40 Cl0.12 I3.88 N2 Zn -","- C16 H40 Cl0.124 I3.876 N2 Zn -","- C64 H160 Cl0.496 I15.504 N8 Zn4 -","4","0.5","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","","","0.71073","MoKα","","0.0633","0.0545","","","0.1294","0.1351","","","","","","1.115","","","","has coordinates,has disorder","261395","2021-02-03","10:19:45",""
"1560588","9.6926","0.0007","9.6926","0.0007","8.1354","0.0008","90","","90","","90","","764.29","0.11","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S1.83 Se1.17 U2 -","- Cs2 O16 S1.829 Se1.171 U2 -","- Cs4 O32 S3.658 Se2.342 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0134","0.0124","","","0.0231","0.0232","","","","","","1.064","","","","has coordinates","262160","2021-02-23","10:26:12",""
"1560589","9.7075","0.0019","9.7075","0.0019","8.1407","0.0016","90","","90","","90","","767.1","0.3","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S1.51 Se1.49 U2 -","- Cs2 O16 S1.517 Se1.483 U2 -","- Cs4 O32 S3.034 Se2.966 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0264","0.0216","","","0.03","0.0306","","","","","","0.833","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560590","9.7828","0.0014","9.7828","0.0014","8.1537","0.0016","90","","90","","90","","780.3","0.2","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S0.96 Se2.05 U2 -","- Cs2 O16 S0.958 Se2.042 U2 -","- Cs4 O32 S1.916 Se4.084 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0252","0.0222","","","0.0443","0.0448","","","","","","1.038","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560591","9.8082","0.0017","9.8082","0.0017","8.1477","0.0019","90","","90","","90","","783.8","0.3","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S0.49 Se2.52 U2 -","- Cs2 O16 S0.489 Se2.511 U2 -","- Cs4 O32 S0.978 Se5.022 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0235","0.0202","","","0.042","0.0426","","","","","","1.016","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560592","9.856","0.0016","9.856","0.0016","8.1587","0.0014","90","","90","","90","","792.5","0.2","150","2","150","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 Se3 U2 -","- Cs2 O16 Se3 U2 -","- Cs4 O32 Se6 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0223","0.0201","","","0.0431","0.0434","","","","","","1.024","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560593","9.6165","0.0008","9.6165","0.0008","8.1055","0.0009","90","","90","","90","","749.57","0.12","150","2","150","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S3 U2 -","- Cs2 O16 S3 U2 -","- Cs4 O32 S6 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0139","0.0135","","","0.0251","0.0252","","","","","","1.014","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560594","9.6268","0.0012","9.6268","0.0012","8.1119","0.001","90","","90","","90","","751.77","0.16","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S2.7 Se0.31 U2 -","- Cs2 O16 S2.696 Se0.304 U2 -","- Cs4 O32 S5.392 Se0.608 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0159","0.0147","","","0.0229","0.023","","","","","","0.99","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560595","9.6518","0.0012","9.6518","0.0012","8.1163","0.001","90","","90","","90","","756.09","0.16","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S2.43 Se0.57 U2 -","- Cs2 O16 S2.432 Se0.568 U2 -","- Cs4 O32 S4.864 Se1.136 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0175","0.0163","","","0.0319","0.0322","","","","","","1.038","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560596","9.6835","0.001","9.6835","0.001","8.1328","0.0012","90","","90","","90","","762.61","0.16","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S2.14 Se0.86 U2 -","- Cs2 O16 S2.138 Se0.862 U2 -","- Cs4 O32 S4.276 Se1.724 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0191","0.0174","","","0.0331","0.0334","","","","","","1.08","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1562471","8.056","0.002","8.056","0.002","5.46","0.0011","90","","90","","90","","354.35","0.14","100","2","100","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Cu K2 O7 P2 -","- Cu K2 O7 P2 -","- Cu2 K4 O14 P4 -","2","0.25","","Keates, Adam C.; Wang, Qianlong; Weller, Mark T.","Synthesis and structural characterisation of iron(II) and copper(II) diphosphates containing flattened metal oxotetrahedra","Journal of Solid State Chemistry","2014","210","1","10","14","10.1016/j.jssc.2013.10.024","","","0.71073","MoKα","","0.0345","0.0267","","","0.0603","0.0629","","","","","","0.919","","","","has coordinates","265088","2021-05-11","07:37:56",""
"1562472","8.092","0.003","8.092","0.003","5.496","0.003","90","","90","","90","","359.9","0.3","100","2","100","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Fe K2 O7 P2 -","- Fe K2 O7 P2 -","- Fe2 K4 O14 P4 -","2","0.25","","Keates, Adam C.; Wang, Qianlong; Weller, Mark T.","Synthesis and structural characterisation of iron(II) and copper(II) diphosphates containing flattened metal oxotetrahedra","Journal of Solid State Chemistry","2014","210","1","10","14","10.1016/j.jssc.2013.10.024","","","0.71073","MoKα","","0.034","0.0294","","","0.0701","0.0715","","","","","","1.05","","","","has coordinates","265088","2021-05-11","07:37:56",""
"1566501","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123.15","","123","","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.026","0.0151","","","0.0216","0.0216","","","","","","2.3133","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566502","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123.15","","123","","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0248","0.0138","","","0.018","0.018","","","","","","1.9273","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566503","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123.15","","123","","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0262","0.0152","","","0.0221","0.0221","","","","","","2.3617","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566504","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123.15","","123","","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.026","0.015","","","0.0212","0.0212","","","","","","2.2661","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566505","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123.15","","123","","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0214","0.0105","","","0.0133","0.0133","","","","","","1.4453","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566506","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0283","0.0138","","","0.0174","0.0174","","","","","","1.882","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566507","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0256","0.0112","","","0.014","0.014","","","","","","1.516","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566508","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0249","0.0105","","","0.0132","0.0133","","","","","","1.438","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566509","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123.15","","123","","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0218","0.0109","","","0.014","0.014","","","","","","1.5201","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566510","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0287","0.0141","","","0.0179","0.0179","","","","","","1.937","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566511","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.029","0.0145","","","0.0188","0.0188","","","","","","2.032","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566512","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0287","0.0142","","","0.0181","0.0182","","","","","","1.952","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566513","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0294","0.0149","","","0.0195","0.0196","","","","","","2.099","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566514","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0288","0.0142","","","0.0183","0.0183","","","","","","1.975","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566515","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0285","0.014","","","0.0178","0.0178","","","","","","1.915","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566516","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0286","0.014","","","0.018","0.018","","","","","","1.929","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566517","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0286","0.014","","","0.0179","0.0179","","","","","","1.924","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566518","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0284","0.0138","","","0.0176","0.0176","","","","","","1.886","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566519","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0287","0.0142","","","0.0181","0.0181","","","","","","1.957","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566520","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0292","0.0146","","","0.0196","0.0196","","","","","","2.125","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566786","9.664","","9.664","","6.33","","90","","90","","90","","591.177","","299","2","299","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- O S6 Sn2 Sr2 Zn -","- O S6 Sn2 Sr2 Zn -","- O2 S12 Sn4 Sr4 Zn2 -","2","0.25","","Cheng, Yansong; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Rational Design of a Promising Oxychalcogenide Infrared Nonlinear Optical Crystal","Chemical Science","2022","","","","","10.1039/D2SC00099G","","","0.71073","MoKα","","0.0243","0.0207","","","0.0346","0.0357","","","","","","1.044","","","","has coordinates","274497","2022-04-12","22:14:03",""
"1568610","33.7993","0.001","33.7993","0.001","7.9398","0.0005","90","","90","","90","","9070.4","0.7","298.15","","298.15","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C112 H70 N8 O59 Y8 -","- C112 H70 N8 O59 Y8 -","- C224 H140 N16 O118 Y16 -","2","0.25","","Li, Juan; Wang, Airong; Qiu, Shiming; Wang, Xiaoli; Li, Jiaming","A 12-Connected [Y<sub>4</sub>((<i>μ</i><sub>3</sub>-OH)<sub>4</sub>]<sup>8+</sup> Cluster-Based Luminescent Metal-Organic Framework for Selective Turn-on Detection of F<sup>-</sup> in H<sub>2</sub>O.","Molecules (Basel, Switzerland)","2023","28","4","1893","","10.3390/molecules28041893","","x-ray","0.71073","MoKα","","0.1419","0.1209","","","0.3069","0.3291","","","","","","1.053","","","","has coordinates,has disorder","281647","2023-03-05","23:25:10",""
"1569275","7.3487","0.0001","7.3487","0.0001","4.7247","0.0001","90","","90","","90","","255.15","0.007","290.44","0.1","290.44","0.1","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- B2 Cd Ga O7 Tb -","- B2 Cd Ga O7 Tb -","- B4 Cd2 Ga2 O14 Tb2 -","2","0.25","","Chen, Xuean; Zhang, Jinyuan; Xiao, Weiqiang; Song, Xiaoyan","A new melilite-type rare-earth borate CdTbGaB2O7 and multicolor tunable emission in the CdTb1−xSmxGaB2O7 (0 ≤ x ≤ 0.2) phosphors","RSC Advances","2023","13","24","16272","16284","10.1039/D3RA03002D","","x-ray","0.71073","MoKα","","0.0236","0.0221","","","0.0443","0.0449","","","","","","1.092","","","","has coordinates","284346","2023-06-05","05:02:38",""
"1572115","21.1393","0.0006","21.1393","0.0006","10.827","0.0004","90","","90","","90","","4838.3","0.3","100","","100","","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C51 H69 La N2 O2 P -","- C51 H69 La N2 O2 P -","- C204 H276 La4 N8 O8 P4 -","4","0.5","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0372","0.0333","","","0.0867","0.088","","","","","","1.062","","","","has coordinates,has disorder","293775","2024-08-05","18:11:58",""
"2002625","7.47","0.001","7.47","0.001","4.864","0.001","90","","90","","90","","271.4","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Neodymium phyllo-diberyllatosilicate","","- Be2 Nd2 O7 Si -","- Be2 Nd2 O7 Si -","- Be4 Nd4 O14 Si2 -","2","0.25","","Mueller, C; Mueller-Buschbaum, Hk","Zwei Oxometallate mit Melilith-Struktur: Nd2 Si Be2 O7 und Ho2 Si Be2 O7","Journal of Alloys Compd.","1993","199","","151","154","10.1016/0925-8388(93)90442-P","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002626","7.288","0.002","7.288","0.002","4.754","0.003","90","","90","","90","","252.5","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Holmium phyllo-diberyllatosilicate","","- Be2 Ho2 O7 Si -","- Be2 Ho2 O7 Si -","- Be4 Ho4 O14 Si2 -","2","0.25","","Mueller, C; Mueller-Buschbaum, Hk","Zwei Oxometallate mit Melilith-Struktur: Nd2 Si Be2 O7 und Ho2 Si Be2 O7","Journal of Alloys Compd.","1993","199","","151","154","10.1016/0925-8388(93)90442-P","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003112","5.589","0.0005","5.589","0.0005","4.6947","0.0004","90","","90","","90","","146.65","0.02","148","","","","","","","","","","","4","P -4 21 m","P -4 2ab","","","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","SH0102","Zavodnik, Valery; Stash, Adam; Tsirelson, Vladimir; de Vries, Roelof; Feil, Dirk","Electron density study of urea using TDS-corrected X-ray diffraction data: quantitative comparison of experimental and theoretical results","Acta Crystallographica Section B","1999","55","1","45","54","10.1107/S0108768198005746","","","0.7069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003215","13.087","0.002","13.087","0.002","11.793","0.001","90","","90","","90","","2019.8","0.5","298","","298","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C12 H32 Cl4 N2 Zn -","- C12 H31 Cl4 N2 Zn -","- C48 H124 Cl16 N8 Zn4 -","4","0.5","NA1105","Caëtano, Odile; Lapasset, Jacques; Saint-Grégoire, Pierre","Tetraethylammonium Tetramethylammonium Tetrachlorozincate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N]ZnCl~4~","Acta Crystallographica Section C","1995","51","2","220","222","10.1107/S0108270194008152","","","0.7107","MoKα","","","0.041","","","0.042","","","","","1.33","1.33","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2004305","16.208","0.002","16.208","0.002","5.8","0.002","90","","90","","90","","1523.7","0.6","292","","292","","","","","","","","","7","P -4 21 m","P -4 2ab","113","","PB(REO4)2.THIOUREA","","- C2 H12 N4 O26 Pb3 Re6 S2 -","- C2 H12 N4 O26 Pb3 Re6 S2 -","- C4 H24 N8 O52 Pb6 Re12 S4 -","2","0.25","NS1002","Macícek, J.; Angelova, O.","Molecular Adducts of Inorganic Salts. III. Non-Centrosymmetric 3Pb(ReO~4~)~2~.2tu.2H~2~O (tu = Thiourea)","Acta Crystallographica Section C","1995","51","12","2539","2542","10.1107/S0108270195004653","","","0.71073","MoKα","","0.073","0.041","","0.132","0.049","","","","1.946","0.736","0.736","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2005683","13.078","0.01","13.078","0.01","11.871","0.01","90","","90","","90","","2030","3","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","(tetraethylammonium,tetramethylammonium)-tetrachlorocuprate","","- C12 H32 Cl4 Cu N2 -","- C12.5 H33 Cl4 Cu N2 -","- C50 H132 Cl16 Cu4 N8 -","4","0.5","SK1018","Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P.","Tetraethylammonium Tetramethylammonium Tetrachlorocuprate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N][CuCl~4~]","Acta Crystallographica Section C","1996","52","11","2674","2676","10.1107/S0108270196009031","","","1.5418","CuKα","","0.0761","0.0702","","0.1763","0.1716","","","","1.097","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010026","11.605","0.002","11.605","0.002","6.005","0.002","90","","90","","90","","808.7","0.3","293","","","","","","","","","","","5","P -4 21 m","P -4 2ab","","","","","- C3 H9 Cl O5 S -","- C3 H9 Cl O7 S -","- C12 H36 Cl4 O28 S4 -","4","0.5","DU1067","Kolinsky, C.; Puget, R.; de Brauer, C.; Jannin, M.","Structures of trimethyloxosulfonium salts. VIII. New refinement of the perchlorate (CH~3~)~3~SO^+^.ClO~4~^{-^}","Acta Crystallographica Section C","1994","50","9","1514","1516","10.1107/S0108270194000983","","","0.71073","MoKα","","","0.0249","","","0.0246","","","","","0.333","0.333","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010100","13.453","0.0009","13.453","0.0009","14.3945","0.0008","90","","90","","90","","2605.2","0.3","298","","298","","","","","","","","","5","P -4 21 m","P -4 2ab","113","bis(tetraethylammonium) tetrabromocadmate","bis(tetraethylammonium) tetrabromocadmate","","- C16 H40 Br4 Cd N2 -","- C18 H30 Br4 Cd N2 -","- C72 H120 Br16 Cd4 N8 -","4","0.5","DU1087","Geselle, M.; Fuess, H.","Bis(tetraethylammonium) tetrabromocadmate","Acta Crystallographica Section C","1994","50","10","1582","1585","10.1107/S0108270194005366","","","0.71069","Mo_Kα","","0.139","0.058","","0.097","0.079","","","","1.826","1.847","1.847","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010853","13.6929","0.0005","13.6929","0.0005","14.8094","0.0006","90","","90","","90","","2776.7","0.18","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Bis(tetraethylammonium) tetraiodozincate","","- C16 H40 I4 N2 Zn -","- C16 H40 I4 N2 Zn -","- C64 H160 I16 N8 Zn4 -","4","0.5","QA0237","Harrison, William T. A.; Howie, R. Alan; Skakle, Janet; Wardell, James L.","Bis(tetraethylammonium) tetraiodozincate at 150 and 301K","Acta Crystallographica Section C","2000","56","4","e124","e125","10.1107/S0108270100003383","","","0.71073","MoKα","","0.072","0.048","","","","0.122","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010854","13.8199","0.0006","13.8199","0.0006","14.8975","0.0007","90","","90","","90","","2845.3","0.2","301","2","301","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","bis(tetraethylammonium) tertraiodozincate","","- C16 H40 I4 N2 Zn -","- C16 H40 I4 N2 Zn -","- C64 H160 I16 N8 Zn4 -","4","0.5","QA0237","Harrison, William T. A.; Howie, R. Alan; Skakle, Janet; Wardell, James L.","Bis(tetraethylammonium) tetraiodozincate at 150 and 301K","Acta Crystallographica Section C","2000","56","4","e124","e125","10.1107/S0108270100003383","","","0.71073","MoKα","","0.075","0.049","","","","0.135","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018257","7.295","0.002","7.295","0.002","10.578","0.004","90","","90","","90","","562.9","0.3","296","2","296","2","","","","","","","","3","P -4 21 m","P -4 2ab","113","dysprosium molybdate","Dysprosium orthomolybdate","","- Dy2 Mo3 O12 -","- Dy2 Mo3 O12 -","- Dy4 Mo6 O24 -","2","0.25","LG3065","Dorzhieva, Sesegma; Chumak, Ihor; Sarapulova, Angelina; Mikhailova, Daria; Bazarova, Jibzema; Ehrenberg, Helmut","A tetragonal form of dysprosium orthomolybdate at room temperature","Acta Crystallographica Section C","2011","67","10","i50","i52","10.1107/S0108270111033713","","","0.71073","MoKα","","0.0373","0.0291","","","0.0425","0.0447","","","","","","0.966","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018972","8.8324","0.0012","8.8324","0.0012","6.4406","0.0013","90","","90","","90","","502.44","0.14","453","2","453","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Poly[1<i>H</i>-imidazol-3-ium [tri-μ~2~-formato-manganese(II)]]","","- C6 H8 Mn N2 O6 -","- C6 H8 Mn N2 O6 -","- C12 H16 Mn2 N4 O12 -","2","0.25","LG3108","Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Zhi","Reversible high-temperature phase transition of a manganese(II) formate framework with imidazolium cations","Acta Crystallographica Section C","2013","69","6","616","619","10.1107/S0108270113012638","","","0.71073","MoKα","","0.0557","0.0446","","","0.128","0.1353","","","","","","1.091","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019369","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Birkedal, Henrik; Madsen, Dennis; Mathiesen, Ragnvald H.; Knudsen, Kenneth; Weber, Hans-Peter; Pattison, Philip; Schwarzenbach, Dieter","The charge density of urea from synchrotron diffraction data","Acta Crystallographica Section A Foundations of Crystallography","2004","60","5","371","381","10.1107/S0108767304015120","","","0.5996","synchrotron","","0.0204","","","","","0.0104","","","","","","1.1661","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2022025","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5996","synchrotron","","0.0276","0.0171","","","0.0445","0.0446","","","","","","0.6809","","","","has coordinates","250604","2020-10-21","18:00:00",""
"2100936","7.8417","0.0006","7.8417","0.0006","5.0249","0.0003","90","","90","","90","","308.99","0.04","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","ST0589","Hagiya, K.; Ohmasa, M.; Iishi, K.","The modulated structure of synthetic Co-åkermanite, Ca~2~CoSi~2~O~7~","Acta Crystallographica Section B","1993","49","2","172","179","10.1107/S0108768192008048","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102160","7.8743","0.0004","7.8743","0.0004","5.0417","0.0002","90","","90","","90","","312.61","0.03","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","","","","","- Ca1.74 Co O7 Si2 Sr0.26 -","- Ca1.744 Co O7 Si2 Sr0.256 -","- Ca3.488 Co2 O14 Si4 Sr0.512 -","2","0.25","SN0002","Bagautdinov, B.; Hagiya, K.; Kusaka, K.; Ohmasa, M.; Iishi, K.","Two-dimensional incommensurately modulated structure of (Sr~0.13~Ca~0.87~)~2~CoSi~2~O~7~ crystals","Acta Crystallographica Section B","2000","56","5","811","821","10.1107/S0108768100006716","","","0.71073","MoKα","","0.0701","0.0701","","0.0524","","","","","","2.34","2.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103245","10.211","0.003","10.211","0.003","5.3064","0.001","90","0.001","90","0.001","90","0.001","553.3","0.2","295","","","","","","","","","","","1","P -4 21 m","P -4 2ab","113","","","","- Ta -","- Ta -","- Ta30 -","30","3.75","OS0079","Arakcheeva, Alla; Chapuis, Gervais; Grinevitch, Vladimir","The self-hosting structure of β-Ta","Acta Crystallographica Section B","2002","58","1","1","7","10.1107/S0108768101017918","","","0.71069","MoKα","","0.1663","0.0566","","","0.0258","0.0298","","","","3.64","3.64","3.88","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103917","10.201","0.001","10.201","0.001","5.3075","0.0005","90","","90","","90","","552.3","0.09","","","","","","","","","","","","1","P -4 21 m","P -4 2ab","113","","","","- Ta -","- Ta -","- Ta30 -","30","3.75","SN0032","Arakcheeva, Alla; Chapuis, Gervais; Birkedal, Henrik; Pattison, Phil; Grinevitch, Vladimir","The commensurate composite σ-structure of β-tantalum","Acta Crystallographica Section B","2003","59","3","324","336","10.1107/S0108768103009005","","","0.71073","MoKα","","0.0582","0.0582","","","0.0403","0.0403","","","","","","3.93","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105715","10.201","0.001","10.201","0.001","5.3075","0.0005","90","","90","","90","","552.3","0.09","","","","","","","","","","","","1","P -4 21 m","P -4 2ab","113","","","","- Ta -","- Ta -","- Ta30 -","30","3.75","","Arakcheeva, Alla; Chapuis, Gervais; Birkedal, Henrik; Pattison, Phil; Grinevitch, Vladimir","The commensurate composite σ-structure of β-tantalum","Acta Crystallographica Section B Structural Science","2003","59","3","324","","10.1107/S0108768103009005","","","0.71073","MoKα","","0.0582","0.0582","","","0.0403","0.0403","","","","","","3.93","","","","has coordinates","292204","2024-06-05","14:01:46",""
"2106179","7.86","","7.86","","5.024","","90","","90","","90","","310.381","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Ca2 Mg (Si2 O7)","","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Bindi, L.; Chapuis, G.; Bonazzi, P.; Petricek, V.; Dusek, M.","Five-dimensional structure refinement of natural melilite, (Ca1.89 Sr0.01 Na0.08 K0.02) (Mg0.92 Al0.08) (Si1.98 Al0.02) O7","Acta Crystallographica B (39,1983-)","2001","57","","739","746","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106748","10.211","","10.211","","5.3064","","90","","90","","90","","553.269","","","","","","","","","","","","","1","P -4 21 m","P -4 2ab","113","","","","- Ta -","- Ta -","- Ta30 -","30","3.75","","Arakcheeva, A.V.; Chapuis, G.; Birkedal, H.; Grinevich, V.V.; Pattison, P.","The commensurate composite sigma-structure of beta-tantalum","Acta Crystallographica B (39,1983-)","2003","59","","324","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2108749","4.41084","0.00004","4.41084","0.00004","9.06779","0.00017","90","","90","","90","","176.418","0.004","298","","298","","","","","","","","Synthesis","4","P -4 21 m","P -4 2ab","113","Sodium ethoxylate; sodium ethanolate","Sodium ethoxide","","- C2 H5 Na O -","- C2 H5 Na O -","- C4 H10 Na2 O2 -","2","0.25","","Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas","Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates","Acta Crystallographica Section B","2021","77","1","","","10.1107/S205252062001584X","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","2.58848","1.58217","","","","","","","has coordinates,has Fobs","261216","2021-01-26","05:40:29",""
"2201770","8.1709","0.0007","8.1709","0.0007","5.3374","0.0007","90","","90","","90","","356.34","0.06","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ba2 Co O7 Si2 -","- Ba2 Co O7 Si2 -","- Ba4 Co2 O14 Si4 -","2","0.25","","El Bali, Brahim; Zavalij, Peter Y.","Tetragonal form of barium cobalt disilicate, Ba~2~CoSi~2~O~7~","Acta Crystallographica, Section E","2003","59","","i59","i61","10.1107/S1600536803006329","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2205376","6.3397","0.0003","6.3397","0.0003","3.756","0.0002","90","","90","","90","","150.96","0.013","150","2","150","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","ammonium chlorite","ammonium chlorate(III)","","- Cl H4 N O2 -","- Cl H4 N O2 -","- Cl2 H8 N2 O4 -","2","0.25","WM6052","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Ammonium chlorite, NH~4~ClO~2~, at 150K","Acta Crystallographica Section E","2005","61","3","i38","i40","10.1107/S1600536805005088","","","0.71073","MoKα","","0.0165","0.0162","","","0.0401","0.0402","","","","","","1.262","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2243495","17.7764","0.0003","17.7764","0.0003","4.2223","0.0001","90","","90","","90","","1334.25","0.04","230","","230","","","","","","","","","4","P -4 21 m","P -4 2ab","113","caesium propionate monohydrate","Caesium propanoate monohydrate","","- C3 H7 Cs O3 -","- C3 H7 Cs O3 -","- C24 H56 Cs8 O24 -","8","1","DJ2008","Samolová, Erika; Fábry, Jan","Caesium propanoate monohydrate","Acta Crystallographica Section E","2020","76","8","1307","1310","10.1107/S2056989020009639","","x-ray","0.71073","MoKα","","0.0165","0.0142","","","0.0359","0.0374","","","","1.1","1.1","1.1","","","","has coordinates,has Fobs","254392","2020-10-21","18:00:00",""
"2300614","8.392","0.001","8.392","0.001","5.561","0.001","90","","90","","90","","391.64","0.1","300","","300","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ba2 Co Ge2 O7 -","- Ba2 Co Ge2 O7 -","- Ba4 Co2 Ge4 O14 -","2","0.25","","Sazonov, Andrew; Meven, Martin; Roth, Georg; Georgii, Robert; Kézsmárki, István; Kocsis, Vilmos; Tokunaga, Yusuke; Taguchi, Yasujiro; Tokura, Yoshinori; Hutanu, Vladimir","Origin of forbidden reflections in multiferroic Ba~2~CoGe~2~O~7~ by neutron diffraction: symmetry lowering or Renninger effect?","Journal of Applied Crystallography","2016","49","2","556","560","10.1107/S1600576716002405","","neutron","0.793","Neutron","","0.0164","0.0164","","","0.042","0.042","","","","1.68","1.68","1.68","","","","has coordinates,has Fobs","181478","2020-10-21","18:00:00",""
"2310857","6.349","","6.349","","3.778","","90","","90","","90","","152.29","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","(N H4) (Cl O2)","","- Cl H4 N O2 -","- Cl H4 N O2 -","- Cl2 H8 N2 O4 -","2","0.25","","Gillespie, R.B.; Sparks, R.A.; Trueblood, K.N.","The crystal structure of ammonium chlorite at -35 C","Acta Crystallographica (1,1948-23,1967)","1959","12","","867","872","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311086","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory","Acta Crystallographica Section A","2016","72","2","206","214","10.1107/S2053273315024699","","","0.5996","","","0.0512","0.0406","","","0.158","0.1581","","","","","","1.267","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2311534","14.6731","0.0005","14.6731","0.0005","3.9727","0.0001","90","","90","","90","","855.32","0.05","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","RCN","3,5-Dibromo-4-methylbenzonitrile","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","LH5859","Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.","Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1913","1916","10.1107/S2056989017016395","","","1.54178","CuKα","","0.0201","0.0201","","","0.0571","0.0571","","","","","","1.27","","","","has coordinates","245963","2020-10-21","18:00:00",""
"2311535","14.69","0.005","14.69","0.005","4.0703","0.0015","90","","90","","90","","878.4","0.5","173","2","173","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","RNC","2,6-Dibromo-4-methylphenyl isocyanide","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","","Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.","Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1913","1916","10.1107/S2056989017016395","","","0.71073","MoKα","","0.0267","0.0232","","","0.05","0.0508","","","","","","1.141","","","","has coordinates","245963","2020-10-21","18:00:00",""
"2312561","5.596","0.003","5.596","0.003","4.7164","0.0017","90","","90","","90","","147.7","0.12","81","","81","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Urea","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","EQ3017","Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria","TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","264","277","10.1107/S2053229624005357","","electron","0.0251","electron","","0.1917","0.1756","","","0.3856","0.4002","","","","","","1.389","","","","has coordinates","293973","2024-08-06","21:33:16",""
"2312562","5.596","0.003","5.596","0.003","4.7164","0.0017","90","","90","","90","","147.7","0.12","81","","81","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Urea","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","EQ3017","Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria","TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","264","277","10.1107/S2053229624005357","","electron","0.0251","electron","","0.1801","0.1628","","","0.3709","0.3866","","","","","","1.3349","","","","has coordinates","293973","2024-08-06","21:33:16",""
"4000261","10.9576","0.0012","10.9576","0.0012","9.8516","0.0013","90","","90","","90","","1182.87","0.2","293","","293","","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C10 H16 Cl4 Cu Hg3 N6 -","- C10 H16 Cl4 Cu Hg3 N6 -","- C20 H32 Cl8 Cu2 Hg6 N12 -","2","0.25","","Draper, Neil D.; Batchelor, Raymond J.; Sih, Bryan C.; Ye, Zuo-Guang; Leznoff, Daniel","(N,N,N',N'-tetramethylethylenediamine)bis-(dicyanomercury)copper(II) tetrachloromercurate(II)","Chemistry of Materials","2003","","","","","10.1021/cm021716r","","","0.7093","MolybdenumKα","","","0.022","","","0.024","","","","","1.07","1.07","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002227","7.652","","7.652","","4.96","","90","","90","","90","","290.423","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Y2 (Si3 O3 N4)","","- N4 O3 Si3 Y2 -","- N4 O3 Si3 Y2 -","- N8 O6 Si6 Y4 -","2","0.25","","Fang, C.M.; de Wijs, G.A.; de Groot, R.A.; Metselaar, R.; Hintzen, H.T.; de With, G.","O/N ordering in Y2 Si3 O3 N4 with the melilite-type structure from first-principles calculations","Chemistry of Materials (1,1989-)","2000","12","","1071","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","140594","2020-10-21","18:00:00",""
"4063469","14.6955","0.0004","14.6955","0.0004","7.7749","0.0004","90","","90","","90","","1679.05","0.11","170","2","170","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C37 H39 B Mo2 S4 -","- C37 H30 B Mo2 S4 -","- C74 H60 B2 Mo4 S8 -","2","0.25","","Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean","Carbon‒Sulfur and Carbon‒Halogen Bond Cleavage of Acyclic or Cyclic Thioethers, Thiophenes, and Dihaloalkanes with the Trithiolato-Bridged Cation [Mo2Cp2(μ-SMe)3(MeCN)2]+","Organometallics","2010","29","2","448","462","10.1021/om900901s","","","0.71073","MoKα","","0.0572","0.05","","","0.1217","0.1252","","","","","","1.087","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4064945","11.7918","0.0003","11.7918","0.0003","9.4299","0.0003","90","","90","","90","","1311.2","0.06","150","2","150","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C20 H45 I N2 P2 Pd -","- C20 H42 I N2 P2 Pd -","- C40 H84 I2 N4 P4 Pd2 -","2","0.25","","Gwynne, Erin A.; Stephan, Douglas W.","Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes","Organometallics","2011","30","15","4128","","10.1021/om200439q","","","0.71073","MoKα","","0.0497","0.0413","","","0.0936","0.0977","","","","","","1.117","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4065895","21.7273","0.0007","21.7273","0.0007","10.5748","0.0006","90","","90","","90","","4992.1","0.4","150","2","150","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C47 H76 Cl4 Zr4 -","- C47 H72.5 Cl4 Zr4 -","- C188 H290 Cl16 Zr16 -","4","0.5","","Liu, Fu-Chen; Chu, Yong-Jui; Yang, Chien-Chan; Lee, Gene-Hsian; Peng, Shie-Ming","Syntheses and Structures of Zirconium Tetranuclear Polyhydrides","Organometallics","2010","29","12","2685","","10.1021/om1001843","","","0.71073","MoKα","","0.033","0.0321","","","0.0906","0.0913","","","","","","1.026","","","","has coordinates,has disorder","178551","2020-10-21","18:00:00",""
"4065896","21.62","0.0008","21.62","0.0008","10.6009","0.0004","90","","90","","90","","4955.1","0.3","150","2","150","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C46 H74 Cl4 Zr4 -","- C46 H74 Cl4 Zr4 -","- C184 H296 Cl16 Zr16 -","4","0.5","","Liu, Fu-Chen; Chu, Yong-Jui; Yang, Chien-Chan; Lee, Gene-Hsian; Peng, Shie-Ming","Syntheses and Structures of Zirconium Tetranuclear Polyhydrides","Organometallics","2010","29","12","2685","","10.1021/om1001843","","","0.71073","MoKα","","0.0394","0.0385","","","0.0964","0.097","","","","","","1.094","","","","has coordinates,has disorder","178551","2020-10-21","18:00:00",""
"4065897","16.0703","0.0009","16.0703","0.0009","9.6812","0.0006","90","","90","","90","","2500.2","0.3","200","2","200","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C22 H39 Cl2 O0.5 Zr2 -","- C22 H39 Cl2 O0.5 Zr2 -","- C88 H156 Cl8 O2 Zr8 -","4","0.5","","Liu, Fu-Chen; Chu, Yong-Jui; Yang, Chien-Chan; Lee, Gene-Hsian; Peng, Shie-Ming","Syntheses and Structures of Zirconium Tetranuclear Polyhydrides","Organometallics","2010","29","12","2685","","10.1021/om1001843","","","0.71073","MoKα","","0.0638","0.0572","","","0.1367","0.1402","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078328","11.1652","0.0004","11.1652","0.0004","8.0783","0.0004","90","","90","","90","","1007.05","0.07","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C18 H30 N4 Rh2 -","- C18 H30 N4 Rh2 -","- C36 H60 N8 Rh4 -","2","0.25","","Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A.","Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes","Organometallics","1996","15","13","2967","","10.1021/om960005y","","","0.71073","MoKα","","0.0157","0.0148","","0.0423","0.0395","","","","1.07","1.073","1.073","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103516","15.8542","0.0007","15.8542","0.0007","4.1273","0.0003","90","","90","","90","","1037.42","0.1","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C7 H5 F N3 S4 -","- C7 H5 F N3 S4 -","- C28 H20 F4 N12 S16 -","4","0.5","","Kristina Lekin; Stephen M. Winter; Laura E. Downie; Xuezhao Bao; John S. Tse; Serge Desgreniers; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Hysteretic Spin Crossover between a Bisdithiazolyl Radical and Its Hypervalent σ-Dimer","Journal of the American Chemical Society","2010","132","","16212","16224","10.1021/ja106768z","","","0.71073","MoKα","","0.033","0.0309","","","0.0714","0.073","","","","","","1.158","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4105296","6.469","0.007","6.469","","4.203","0.005","90","","90","","90","","175.9","0.3","","","","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Cu3 Se2 -","- Cu3 Se2 -","- Cu6 Se4 -","2","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.21824","","6.35","","","","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105297","6.66","0.05","6.66","","4.102","0.012","90","","90","","90","","181.9","1.5","","","","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Cu3 Se2 -","- Cu3 Se2 -","- Cu6 Se4 -","2","0.25","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.05031","","8.35","","","","","","","has coordinates,has Fobs","178798","2020-10-21","18:00:00",""
"4105337","16.09457","0.00026","16.09457","","3.98958","0.00008","90","","90","","90","","1033.44","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.18414","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105338","16.07661","0.00018","16.07661","","3.94232","0.00006","90","","90","","90","","1018.92","0.019","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.12574","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105339","15.90088","0.00027","15.90088","","3.80246","0.00008","90","","90","","90","","961.41","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.09667","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105340","15.83767","0.00024","15.83767","","3.73814","0.00007","90","","90","","90","","937.64","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.08648","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105341","15.78087","0.00028","15.78087","","3.6909","0.00008","90","","90","","90","","919.17","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley","Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response","Journal of the American Chemical Society","2009","131","","16012","16013","10.1021/ja908238w","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.07402","","","","","","","","","has coordinates,has Fobs","178799","2020-10-21","18:00:00",""
"4105961","16.23481","0.00016","16.23481","0.00016","4.083","0.00005","90","","90","","90","","1076.15","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.13003","","1.52","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105962","16.1602","0.0002","16.1602","0.0002","4.01327","0.00006","90","","90","","90","","1048.07","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.09795","","1.7","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105963","16.03132","0.0002","16.03132","","3.89682","0.00007","90","","90","","90","","1001.5","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.10651","","1.68","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105964","15.93675","0.00016","15.93675","","3.81437","0.00005","90","","90","","90","","968.774","0.016","293","2","293","3","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.10626","","1.39","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105965","15.86977","0.00016","15.86977","0.00016","3.74821","0.00005","90","","90","","90","","943.985","0.018","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.06544","","1.29","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105966","15.81103","0.00017","15.81103","0.00017","3.69185","0.00006","90","","90","","90","","922.92","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.08272","","1.45","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105967","15.76088","0.00015","15.76088","0.00015","3.6336","0.00006","90","","90","","90","","902.606","0.019","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.1409","","1.34","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105968","15.67329","0.00019","15.67329","0.00019","3.52999","0.00006","90","","90","","90","","867.15","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.22912","","1.47","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105969","15.63466","0.00014","15.63466","0.00014","3.48795","0.00006","90","","90","","90","","852.604","0.018","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","","","","","","","","","0.27224","","1.27","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105970","15.96595","0.00027","15.96595","0.00027","3.85717","0.00008","90","","90","","90","","983.24","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.12483","","5.44","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105971","15.7209","0.00024","15.7209","0.0024","3.5586","0.00007","90","","90","","90","","879.5","0.14","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.06112","","5.04","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105972","15.63059","0.00027","15.63059","0.00027","3.57744","0.00008","90","","90","","90","","874.02","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.11333","","5.85","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105973","15.61515","0.00021","15.61515","0.00021","3.50758","0.00006","90","","90","","90","","855.26","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","1.98048","","3.88","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105974","16.3109","0.0014","16.3109","0.0014","4.1753","0.0007","90","","90","","90","","1110.8","0.2","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","","","0.71073","MoKα","","0.0463","0.0307","","","0.0504","0.0542","","","","","","1.103","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4106836","7.8868","0.0004","7.8868","0.0004","5.2243","0.0003","90","","90","","90","","324.96","0.03","293","","293","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca1.023 Ga3 Nd0.977 O7 -","- Ca1.05 Ga3 Nd0.95 O7 -","- Ca2.1 Ga6 Nd1.9 O14 -","2","0.25","","Fengxia Wei; Tom Baikie; Tao An; Martin Schreyer; Christian Kloc; T. J. White","Five-Dimensional Incommensurate Structure of the Melilite Electrolyte [CaNd]2[Ga]2[Ga2O7]2","Journal of the American Chemical Society","2011","133","","15200","15211","10.1021/ja206441x","","","0.71073","MoKα","","0.0299","0.0297","","","0.0425","0.0425","","","","2.54","2.54","2.53","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107942","15.9014","0.001","15.9014","0.001","4.0161","0.0005","90","","90","","90","","1015.49","0.16","100","2","100","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 S2 Se2 -","- C7 H5 Cl N3 S2 Se2 -","- C28 H20 Cl4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley","Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals","Journal of the American Chemical Society","2008","130","","8414","8425","10.1021/ja801070d","","","0.71073","MoKα","","0.0426","0.0371","","","0.0717","0.0732","","","","","","1.053","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107943","16.0565","0.0004","16.0565","0.0004","4.1599","0.0002","90","","90","","90","","1072.47","0.06","295","2","295","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 S2 Se2 -","- C7 H5 Cl N3 S2 Se2 -","- C28 H20 Cl4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley","Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals","Journal of the American Chemical Society","2008","130","","8414","8425","10.1021/ja801070d","","","0.71073","MoKα","","0.0445","0.0402","","","0.0822","0.0838","","","","","","1.131","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107944","16.0331","0.0006","16.0331","0.0006","4.092","0.0003","90","","90","","90","","1051.89","0.1","100","2","100","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 S2 Se2 -","- C7 H5 Cl N3 S2 Se2 -","- C28 H20 Cl4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley","Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals","Journal of the American Chemical Society","2008","130","","8414","8425","10.1021/ja801070d","","","","MoKα","","0.0201","0.0192","","","0.0468","0.0471","","","","","","0.981","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107945","16.1801","0.0012","16.1801","0.0012","4.1264","0.0006","90","","90","","90","","1080.27","0.19","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley","Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals","Journal of the American Chemical Society","2008","130","","8414","8425","10.1021/ja801070d","","","0.71073","MoKα","","0.0411","0.0376","","","0.08","0.0813","","","","","","1.164","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107946","16.2708","0.0005","16.2708","0.0005","4.172","0.0003","90","","90","","90","","1104.49","0.09","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley","Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals","Journal of the American Chemical Society","2008","130","","8414","8425","10.1021/ja801070d","","","0.71073","MoKα","","0.0396","0.0374","","","0.0635","0.064","","","","","","1.211","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107947","15.7927","0.0003","15.7927","0.0003","4.031","0.0002","90","","90","","90","","1005.37","0.06","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 S4 -","- C7 H5 Cl N3 S4 -","- C28 H20 Cl4 N12 S16 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley","Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals","Journal of the American Chemical Society","2008","130","","8414","8425","10.1021/ja801070d","","","0.71073","MoKα","","0.0184","0.0177","","","0.0387","0.0391","","","","","","1.114","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4108597","16.1583","0.0011","16.1583","0.0011","4.3026","0.0006","90","","90","","90","","1123.37","0.19","100","2","100","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C8 H7 Cl N3 S2 Se2 -","- C8 H7 Cl N3 S2 Se2 -","- C32 H28 Cl4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","","MoKα","","0.0268","0.0245","","","0.0529","0.0537","","","","","","1.071","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108598","16.2209","0.0008","16.2209","0.0008","4.3831","0.0004","90","","90","","90","","1153.27","0.13","296","2","296","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C8 H7 Cl N3 S2 Se2 -","- C8 H7 Cl N3 S2 Se2 -","- C32 H28 Cl4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","0.71073","MoKα","","0.025","0.023","","","0.0482","0.0488","","","","","","1.096","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108599","16.2389","0.0005","16.2389","0.0005","4.2776","0.0003","90","","90","","90","","1128.01","0.09","100","2","100","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C7 H2 Cl F3 N3 S2 Se2 -","- C7 H2 Cl F3 N3 S2 Se2 -","- C28 H8 Cl4 F12 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","0.71073","MoKα","","0.0142","0.0134","","","0.0351","0.0353","","","","","","1.098","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108600","16.2612","0.0008","16.2612","0.0008","4.3882","0.0004","90","","90","","90","","1160.36","0.13","296","2","296","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","ClBPTSFEt","","","- C7 H2 Cl F3 N3 S2 Se2 -","- C7 H2 Cl F3 N3 S2 Se2 -","- C28 H8 Cl4 F12 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","0.71073","MoKα","","0.0246","0.0234","","","0.0609","0.0613","","","","","","1.087","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108601","16.0276","0.0012","16.0276","0.0012","4.083","0.0007","90","","90","","90","","1048.9","0.2","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C8 H8 N3 S2 Se2 -","- C8 H8 N3 S2 Se2 -","- C32 H32 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","0.71073","MoKα","","0.035","0.0328","","","0.0662","0.0672","","","","","","1.005","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108602","16.0088","0.0017","16.0088","0.0017","4.1385","0.0009","90","","90","","90","","1060.6","0.3","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","MeBPTSEt","","","- C8 H8 N3 S2 Se2 -","- C8 H8 N3 S2 Se2 -","- C32 H32 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","0.71073","MoKα","","0.038","0.0337","","","0.0793","0.0815","","","","","","1.084","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108603","16.0499","0.0007","16.0499","0.0007","4.0684","0.0003","90","","90","","90","","1048.02","0.1","100","2","100","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Br N3 S2 Se2 -","- C7 H5 Br N3 S2 Se2 -","- C28 H20 Br4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","0.71073","MoKα","","0.0289","0.0273","","","0.0654","0.0662","","","","","","1.08","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108604","16.0885","0.0007","16.0885","0.0007","4.1339","0.0003","90","","90","","90","","1070.02","0.1","296","2","296","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","BrBPTSEt","","","- C7 H5 Br N3 S2 Se2 -","- C7 H5 Br N3 S2 Se2 -","- C28 H20 Br4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley","Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme","Journal of the American Chemical Society","2008","130","","14791","14801","10.1021/ja8054436","","","0.71073","MoKα","","0.0195","0.0173","","","0.0402","0.041","","","","","","1.077","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4110091","16.0334","0.0008","16.0334","0.0008","4.109","0.0004","90","","90","","90","","1056.3","0.13","298","2","298","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","ClBPTSEt","","","- C7 H5 Cl N3 S2 Se2 -","- C7 H5 Cl N3 S2 Se2 -","- C28 H20 Cl4 N12 S8 Se8 -","4","0.5","","Craig M. Robertson; Daniel J. T. Myles; Alicea A. Leitch; Robert W. Reed; Brynn M. Dooley; Natia L. Frank; Paul A. Dube; Laurence K. Thompson; Richard T. Oakley","Ferromagnetism in a Heavy Atom Heterocyclic Radical Conductor","Journal of the American Chemical Society","2007","129","","12688","12689","10.1021/ja076841o","","","0.71073","MoKα","","0.0507","0.0447","","","0.1003","0.1029","","","","","","1.099","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4115028","15.9601","0.0019","15.9601","0.0019","4.4494","0.0006","90","","90","","90","","1133.4","0.2","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C8 H7 Cl N3 S4 -","- C8 H8 Cl N3 S4 -","- C32 H32 Cl4 N12 S16 -","4","0.5","","Leanne Beer; Jaclyn L. Brusso; A. Wallace Cordes; Robert C. Haddon; Mikhail E. Itkis; Kristin Kirschbaum; Douglas S. MacGregor; Richard T. Oakley; A. Alan Pinkerton; Robert W. Reed","Resonance-Stabilized 1,2,3-Dithiazolo-1,2,3-dithiazolyls as Neutral π-Radical Conductors","Journal of the American Chemical Society","2002","124","","9498","9509","10.1021/ja026118s","","","0.7107","MoKα","","0.059","0.0308","","","0.0453","0.0495","","","","","","0.784","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115031","15.886","0.004","15.886","0.004","4.1088","0.0011","90","","90","","90","","1036.9","0.5","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 S4 -","- C7 H5 Cl N3 S4 -","- C28 H20 Cl4 N12 S16 -","4","0.5","","Leanne Beer; Jaclyn L. Brusso; A. Wallace Cordes; Robert C. Haddon; Mikhail E. Itkis; Kristin Kirschbaum; Douglas S. MacGregor; Richard T. Oakley; A. Alan Pinkerton; Robert W. Reed","Resonance-Stabilized 1,2,3-Dithiazolo-1,2,3-dithiazolyls as Neutral π-Radical Conductors","Journal of the American Chemical Society","2002","124","","9498","9509","10.1021/ja026118s","","","0.7107","MoKα","","0.0359","0.0279","","","0.0571","0.0603","","","","","","1.107","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4124351","13.3318","0.0007","13.3318","0.0007","4.3442","0.0003","90","","90","","90","","772.12","0.08","173","2","173","2","","","","","","","","3","P -4 21 m","P -4 2ab","113","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C38 H36 N4 -","2","0.25","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.0568","0.0385","","","0.0847","0.0956","","","","","","1.048","","","","has coordinates","154248","2020-10-21","18:00:00",""
"4124694","7.83456","0.00019","7.83456","0.00019","5.00875","0.00015","90","","90","","90","","307.439","0.014","300","","300","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.02","1.163","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124695","7.79644","0.00042","7.79644","0.00042","5.0119","0.00031","90","","90","","90","","304.65","0.03","300","","300","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Al Ca4 Mg1.5 O14 Si3.5 -","- Al Ca4 Mg1.5 O14 Si3.5 -","- Al Ca4 Mg1.5 O14 Si3.5 -","1","0.125","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.42","1.215","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124696","7.73707","0.0009","7.73707","0.0009","5.02948","0.00065","90","","90","","90","","301.08","0.06","300","","300","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Al2 Ca4 Mg O14 Si3 -","- Al2 Ca4 Mg O14 Si3 -","- Al2 Ca4 Mg O14 Si3 -","1","0.125","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.1","1.419","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124698","7.69191","0.00057","7.69191","0.00057","5.04831","0.00045","90","","90","","90","","298.69","0.04","300","","300","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Al3 Ca4 Mg0.5 O14 Si2.5 -","- Al3 Ca4 Mg0.5 O14 Si2.5 -","- Al3 Ca4 Mg0.5 O14 Si2.5 -","1","0.125","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.32","1.346","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124699","7.67231","0.00034","7.67231","0.00034","5.05923","0.00027","90","","90","","90","","297.81","0.02","300","","300","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Al2 Ca2 O7 Si -","- Al2 Ca2 O7 Si -","- Al4 Ca4 O14 Si2 -","2","0.25","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.71","1.113","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124707","9.26","","9.26","","5.68","","90","","90","","90","","487.046","","","","","","","","","","","","","3","P -4 21 m","P -4 2ab","113","","(P Cl4) (I Cl2)","","- Cl6 I P -","- Cl6 I P -","- Cl12 I2 P2 -","2","0.25","","Zelezny, W.F.; Baenziger, N.C.","The Crystal Structure of Tetrachlorophosphonium Dichloroiodide","Journal of the American Chemical Society","1952","74","","6151","6152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4126061","14.068","0.003","14.068","0.003","12.289","0.002","90","0.03","90","0.03","90","0.03","2432.1","0.8","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C13 H3 In0.5 N3 O11 S -","- C12 H3 In0.5 N1.5 O9 S -","- C48 H12 In2 N6 O36 S4 -","4","0.5","","Lin, Jian-Bin; Romero, Zaida; Shimizu, George K. H.; Joarder, Biplab","Single Crystal Proton Conduction Study of a Metal Organic Framework of Modest Water Stability.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b03397","","","0.7107","MoKα","","0.0954","0.0803","","","0.2339","0.2561","","","","","","1.141","","","","has coordinates,has disorder","196824","2020-10-21","18:00:00",""
"4127747","16.335","0.002","16.335","0.002","6.4559","0.0013","90","","90","","90","","1722.6","0.5","100","","100","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- I2 Pb0.5 -","- I2 Pb0.5 -","- I16 Pb4 -","8","1","","Gautier, Romain; Paris, Michael; Massuyeau, Florian","Exciton Self-Trapping in Hybrid Lead Halides: Role of Halogen.","Journal of the American Chemical Society","2019","141","32","12619","12623","10.1021/jacs.9b04262","","","0.71073","MoKα","","0.1846","0.118","","","0.2876","0.3564","","","","","","1.309","","","","has coordinates,has disorder","220918","2020-10-21","18:00:00",""
"4127748","15.541","0.002","15.541","0.002","5.7821","0.0012","90","","90","","90","","1396.5","0.4","273","2","273.15","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Cl2 Pb0.5 -","- Cl2 Pb0.5 -","- Cl16 Pb4 -","8","1","","Gautier, Romain; Paris, Michael; Massuyeau, Florian","Exciton Self-Trapping in Hybrid Lead Halides: Role of Halogen.","Journal of the American Chemical Society","2019","141","32","12619","12623","10.1021/jacs.9b04262","","","0.71073","MoKα","","0.1308","0.1064","","","0.2611","0.2916","","","","","","1.199","","","","has coordinates,has disorder","220919","2020-10-21","18:00:00",""
"4128030","4.5946","0.0004","4.5946","0.0004","8.0512","0.001","90","","90","","90","","169.96","0.03","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Hg Li O4 P -","- Hg Li O4 P -","- Hg2 Li2 O8 P2 -","2","0.25","","Wu, Bao-Lin; Hu, Chun-Li; Mao, Fei-Fei; Tang, Ru-Ling; Mao, Jiang-Gao","Highly Polarizable Hg<sup>2+</sup> Induced a Strong Second Harmonic Generation Signal and Large Birefringence in LiHgPO<sub>4</sub>.","Journal of the American Chemical Society","2019","141","26","10188","10192","10.1021/jacs.9b05125","","","0.71073","MoKα","","0.0337","0.029","","","0.0522","0.0576","","","","","","1.014","","","","has coordinates","221168","2020-10-21","18:00:00",""
"4134328","21.604","0.005","21.604","0.005","8.778","0.002","90","","90","","90","","4097","1.6","100","2","100","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C95 H134 Fe2 N6 -","- C95 H136 Fe2 N6 -","- C190 H272 Fe4 N12 -","2","0.25","","Joannou, Matthew V.; Hoyt, Jordan M.; Chirik, Paul J.","Investigations into the Mechanism of Inter- and Intramolecular Iron-Catalyzed [2+2] Cycloaddition of Alkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00250","","","0.71073","MoKα","","0.0583","0.0462","","","0.0988","0.1046","","","","","","1.052","","","","has coordinates","248849","2020-10-21","18:00:00",""
"4310301","16.705","0.004","16.705","0.004","13.956","0.005","90","","90","","90","","3894.5","1.9","173","2","173","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- As2 Cu4 H23 K9 Na O77.5 W18 -","- As2 Cu4 K9 Na O77.52 W18 -","- As4 Cu8 K18 Na2 O155.04 W36 -","2","0.25","","Ulrich Kortz; Saritha Nellutla; Ashley C. Stowe; Naresh S. Dalal; Johan van Tol; Bassem S. Bassil","Structure and Magnetism of the Tetra-Copper(II)-Substituted Heteropolyanion [Cu4K2(H2O)8(α-AsW9O33)2]8-","Inorganic Chemistry","2004","43","","144","154","10.1021/ic034697b","","","0.71073","MoKα","","0.0691","0.0457","","","0.1066","0.1229","","","","","","1.056","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4316643","11.9138","0.0009","11.9138","0.0009","12.0136","0.0009","90","","90","","90","","1705.2","0.2","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C17 H39 Cl3 Cu2 N14 O12 -","- C17 H39 Cl3 Cu2 N14 O12 -","- C34 H78 Cl6 Cu4 N28 O24 -","2","0.25","","Antonio J. Mota; Antonio Rodríguez-Diéguez; M. Ángeles Palacios; Juan M. Herrera; Dominique Luneau; Enrique Colacio","Theoretical and Experimental Study of the Effectiveness of the 5-Pyrimidyl-tetrazolate Bridging Ligand in Mediating Magnetic Exchange Interactions","Inorganic Chemistry","2010","49","","8986","8996","10.1021/ic101322s","","","0.71073","MoKα","","0.0514","0.0412","","","0.1028","0.1091","","","","","","1.005","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4317121","8.0138","0.0002","8.0138","0.0002","5.1711","0.0001","90","","90","","90","","332.093","0.013","293","","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Eu2 Mg O7 Si2 -","- Eu2 Mg O7 Si2 -","- Eu4 Mg2 O14 Si4 -","2","0.25","","Takashi Endo; Yoshihiro Doi; Makoto Wakeshima; Yukio Hinatsu","Crystal Structures and Magnetic Properties of New Europium Melilites Eu2MSi2O7 (M = Mg, Mn) and Their Strontium Analogues","Inorganic Chemistry","2010","49","","10809","10814","10.1021/ic1011007","powder diffraction","","1.54059","CuKα1","","","","","","","","","2.364","1.54","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317122","8.139","0.0002","8.139","0.0002","5.1635","0.0001","90","","90","","90","","342.047","0.014","293","","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Eu2 Mn O7 Si2 -","- Eu2 Mn O7 Si2 -","- Eu4 Mn2 O14 Si4 -","2","0.25","","Takashi Endo; Yoshihiro Doi; Makoto Wakeshima; Yukio Hinatsu","Crystal Structures and Magnetic Properties of New Europium Melilites Eu2MSi2O7 (M = Mg, Mn) and Their Strontium Analogues","Inorganic Chemistry","2010","49","","10809","10814","10.1021/ic1011007","powder diffraction","","1.54059","CuKα1","","","","","","","","","2.33","1.32","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317123","8.0107","0.0002","8.0107","0.0002","5.1636","0.0001","90","","90","","90","","331.355","0.013","293","2","293","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Mg O7 Si2 Sr2 -","- Mg O7 Si2 Sr2 -","- Mg2 O14 Si4 Sr4 -","2","0.25","","Takashi Endo; Yoshihiro Doi; Makoto Wakeshima; Yukio Hinatsu","Crystal Structures and Magnetic Properties of New Europium Melilites Eu2MSi2O7 (M = Mg, Mn) and Their Strontium Analogues","Inorganic Chemistry","2010","49","","10809","10814","10.1021/ic1011007","powder diffraction","","1.54059","CuKα1","","","","","","","","","2.281","2.28","","","","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317124","8.1315","0.0001","8.1315","0.0001","5.15887","0.00009","90","","90","","90","","341.111","0.008","293","2","293","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Mn O7 Si2 Sr2 -","- Mn O7 Si2 Sr2 -","- Mn2 O14 Si4 Sr4 -","2","0.25","","Takashi Endo; Yoshihiro Doi; Makoto Wakeshima; Yukio Hinatsu","Crystal Structures and Magnetic Properties of New Europium Melilites Eu2MSi2O7 (M = Mg, Mn) and Their Strontium Analogues","Inorganic Chemistry","2010","49","","10809","10814","10.1021/ic1011007","powder diffraction","","1.54059","CuKα1","","","","","","","","","1.902","2.07","","","","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4318146","21.125","0.003","21.125","0.003","10.938","0.002","90","","90","","90","","4881.3","1.3","193","2","193","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C68 H94 Cl3 La N16 O23 -","- C68 H78 Cl3 La N16 O23 -","- C136 H156 Cl6 La2 N32 O46 -","2","0.25","","Christophe Lescop; Elie Belorizky; Dominique Luneau; Paul Rey","Synthesis, Structures, and Magnetic Properties of a Series of Lanthanum(III) and Gadolinium(III) Complexes with Chelating Benzimidazole-Substituted Nitronyl Nitroxide Free Radicals. Evidence for Antiferromagnetic GdIII-Radical Interactions","Inorganic Chemistry","2002","41","","3375","3384","10.1021/ic0200038","","","0.71073","MoKα","","0.1602","0.1017","","0.3126","0.2791","","","","1.56","1.762","1.762","","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4319954","13.362","0.001","13.362","0.001","14.411","0.001","90","","90","","90","","2573","0.3","293","2","293","2","","","","","","","synthesis","5","P -4 21 m","P -4 2ab","113","","","","- C16 H40 Br4 Mn N2 -","- C16 H29.35 Br4 Mn N2 -","- C64 H117.4 Br16 Mn4 N8 -","4","0.5","","F. Albert Cotton; Lee M. Daniels; Penglin Huang","Correlation of Structure and Triboluminescence for Tetrahedral Manganese(II) Compounds","Inorganic Chemistry","2001","40","","3576","3578","10.1021/ic0101836","","","0.71073","MoKα","","0.1053","0.0413","","0.1216","0.0964","","","","1.019","1.061","1.061","","","","","has coordinates,has disorder","179279","2020-10-21","18:00:00",""
"4320185","16.7461","0.0008","16.7461","0.0008","13.9075","0.0009","90","","90","","90","","3900.1","0.4","167","2","167","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- Cu3 K9 Na O85 Se2 W18 -","- Cu3 K9 Na O85 Se2 W18 -","- Cu6 K18 Na2 O170 Se4 W36 -","2","0.25","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.0416","0.0336","","","0.0717","0.0755","","","","","","1.103","","","","has coordinates","179304","2020-10-21","18:00:00",""
"4320186","16.6529","0.0009","16.6529","0.0009","14.018","0.0011","90","","90","","90","","3887.5","0.4","167","2","167","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- Cu3 K9 Na O85 Te2 W18 -","- Cu3 K9 Na O85 Te2 W18 -","- Cu6 K18 Na2 O170 Te4 W36 -","2","0.25","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.0352","0.0303","","","0.0819","0.0838","","","","","","1.206","","","","has coordinates","179304","2020-10-21","18:00:00",""
"4321982","4.727","0.003","4.727","0.003","8.88","0.007","90","","90","","90","","198.4","0.2","","","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- F4 Li O2 Re -","- F4 Li O2 Re -","- F8 Li2 O4 Re2 -","2","0.25","","William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen","Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)\ιnfty, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X-ray Structures of [Li][ReO2F4], [K][Re2O4F7], [K][Re2O4F7].2ReO2F3, [Cs][Re3O6F10], and ReO3F(CH3CN)2.CH3CN","Inorganic Chemistry","1999","38","","2340","2358","10.1021/ic980695t","","","0.56086","AgKα","","0.0397","0.0378","","0.1084","0.1029","","","","1.207","1.2","1.2","","","","","has coordinates","179322","2020-10-21","18:00:00",""
"4326875","11.9402","0.0009","11.9402","0.0009","5.5735","0.0011","90","","90","","90","","794.6","0.18","140","2","140","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C13 H22 B N5 -","- C13 H23 B N5 -","- C26 H46 B2 N10 -","2","0.25","","Magdalena Marszalek; Zhaofu Fei; Dun-Ru Zhu; Rosario Scopelliti; Paul J. Dyson; Shaik Mohammed Zakeeruddin; Michael Grätzel","Application of Ionic Liquids Containing Tricyanomethanide [C(CN)3]- or Tetracyanoborate [B(CN)4]- Anions in Dye-Sensitized Solar Cells","Inorganic Chemistry","2011","50","","11561","11567","10.1021/ic201513m","","","0.71073","MoKα","","0.0583","0.0494","","","0.1142","0.1175","","","","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327186","9.6376","0.0006","9.6376","0.0006","6.3085","0.0007","90","","90","","90","","585.95","0.08","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Eu2 Ga2 Ge S7 -","- Eu2 Ga2 Ge S7 -","- Eu4 Ga4 Ge2 S14 -","2","0.25","","Mei-Chun Chen; Peng Li; Liu-Jiang Zhou; Long-Hua Li; Ling Chen","Structure Change Induced by Terminal Sulfur in Noncentrosymmetric La2Ga2GeS8 and Eu2Ga2GeS7 and Nonlinear-Optical Responses in Middle Infrared","Inorganic Chemistry","2011","50","","12402","12404","10.1021/ic2020513","","","0.71073","MoKα","","0.0372","0.0356","","","0.0703","0.0716","","","","","","1.056","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4328646","8.0677","0.0004","8.0677","0.0004","5.3891","0.0003","90","","90","","90","","350.76","0.03","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ge2 Mn O7 Sr2 -","- Ge2 Mn O7 Sr2 -","- Ge4 Mn2 O14 Sr4 -","2","0.25","","Takashi Endo; Yoshihiro Doi; Yukio Hinatsu; Kenji Ohoyama","Magnetic and Neutron Diffraction Study on Melilite-Type Oxides Sr2MGe2O7 (M = Mn, Co)","Inorganic Chemistry","2012","51","","3572","3578","10.1021/ic202386h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328647","8.28708","","8.28708","","5.31891","","90","","90","","90","","365.28","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ge2 Mn O7 Sr2 -","- Ge2 Mn O7 Sr2 -","- Ge4 Mn2 O14 Sr4 -","2","0.25","","Takashi Endo; Yoshihiro Doi; Yukio Hinatsu; Kenji Ohoyama","Magnetic and Neutron Diffraction Study on Melilite-Type Oxides Sr2MGe2O7 (M = Mn, Co)","Inorganic Chemistry","2012","51","","3572","3578","10.1021/ic202386h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328648","8.16939","","8.16939","","5.32529","","90","","90","","90","","355.404","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Co Ge2 O7 Sr2 -","- Co Ge2 O7 Sr2 -","- Co2 Ge4 O14 Sr4 -","2","0.25","","Takashi Endo; Yoshihiro Doi; Yukio Hinatsu; Kenji Ohoyama","Magnetic and Neutron Diffraction Study on Melilite-Type Oxides Sr2MGe2O7 (M = Mn, Co)","Inorganic Chemistry","2012","51","","3572","3578","10.1021/ic202386h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328649","8.15281","","8.15281","","5.3267","","90","","90","","90","","354.057","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ge2 O7 Sr2 Zn -","- Ge2 O7 Sr2 Zn -","- Ge4 O14 Sr4 Zn2 -","2","0.25","","Takashi Endo; Yoshihiro Doi; Yukio Hinatsu; Kenji Ohoyama","Magnetic and Neutron Diffraction Study on Melilite-Type Oxides Sr2MGe2O7 (M = Mn, Co)","Inorganic Chemistry","2012","51","","3572","3578","10.1021/ic202386h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329293","7.9386","0.0002","7.9386","0.0002","5.2641","0.0003","90","","90","","90","","331.75","0.02","293","","293","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca1.033 Ga3 La0.967 O7 -","- Ca1.032 Ga3 La0.968 O7 -","- Ca2.064 Ga6 La1.936 O14 -","2","0.25","","Fengxia Wei; Tom Baikie; Tao An; Christian Kloc; Jun Wei; Tim J. White","Crystal Chemistry of Melilite [CaLa]2[Ga]2[Ga2O7]2: a Five Dimensional Solid Electrolyte","Inorganic Chemistry","2012","51","","5941","5949","10.1021/ic300585t","","x-ray","0.71073","MoKα","","0.0238","0.0235","","","0.0608","0.0609","","","","1.69","1.69","1.68","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331444","9.92","","9.92","","6.23","","90","","90","","90","","613.072","","","","","","","","","","","","","3","P -4 21 m","P -4 2ab","113","","(N F4) (B F4)","","- B F8 N -","- B F8 N -","- B4 F32 N4 -","4","0.5","","Fawcett, J.; Christe, K.O.; Russell, D.R.; Thorup, N.; David, L.M.","Crystal structure of (N F4)(+) salts","Inorganic Chemistry","1988","27","","2450","2454","10.1021/ic00287a016","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333937","15.956","0.0007","15.956","0.0007","4.2769","0.0002","90","","90","","90","","1088.87","0.08","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C8 H7 F N3 S4 -","- C8 H7 F N3 S4 -","- C32 H28 F4 N12 S16 -","4","0.5","","Kristina Lekin; Joanne W. L. Wong; Stephen M. Winter; Aaron Mailman; Paul A. Dube; Richard T. Oakley","Bisdithiazolyl Radical Spin Ladders","Inorganic Chemistry","2013","52","","2188","2198","10.1021/ic302658c","","","0.71073","MoKα","","0.0233","0.0214","","","0.0564","0.0584","","","","","","1.11","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4340535","12.3383","0.0002","12.3383","0.0002","8.1137","0.0005","90","","90","","90","","1235.18","0.08","290","","290","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C13 H25 N O14 U2 -","- C13 H25 N O14 U2 -","- C26 H50 N2 O28 U4 -","2","0.25","","Zhu, Qianqian; Shang, Ran; Chen, Sa; Liu, Chunli; Wang, Zheming; Gao, Song","[(C2H5)4N][U2O4(HCOO)5], an Ammonium Uranyl Formate Framework Showing Para- to Ferro-Electric Transition: Synthesis, Structures, and Properties.","Inorganic chemistry","2014","53","16","8708","8716","10.1021/ic501336x","","","0.71073","MoKα","","0.0461","0.0378","","","0.0815","0.0872","","","","","","1.056","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340536","12.3262","0.0002","12.3262","0.0002","8.0856","0.0005","90","","90","","90","","1228.49","0.08","250","","250","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C13 H25 N O14 U2 -","- C13 H25 N O14 U2 -","- C26 H50 N2 O28 U4 -","2","0.25","","Zhu, Qianqian; Shang, Ran; Chen, Sa; Liu, Chunli; Wang, Zheming; Gao, Song","[(C2H5)4N][U2O4(HCOO)5], an Ammonium Uranyl Formate Framework Showing Para- to Ferro-Electric Transition: Synthesis, Structures, and Properties.","Inorganic chemistry","2014","53","16","8708","8716","10.1021/ic501336x","","","0.71073","MoKα","","0.0417","0.0342","","","0.0772","0.0824","","","","","","1.081","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4341276","8.02391","0.00004","8.02391","0.00004","5.23601","0.00003","90","","90","","90","","337.111","0.003","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","CeSrGa3O7.39","- Ce Ga3 O7.38 Sr -","- Ce Ga3 O7.37644 Sr -","- Ce2 Ga6 O14.7529 Sr2 -","2","0.25","","Xu, Jungu; Kuang, Xiaojun; Véron, Emmanuel; Allix, Mathieu; Suchomel, Matthew R.; Porcher, Florence; Liang, Chaolun; Pan, Fengjuan; Wu, Mingmei","Localization of Oxygen Interstitials in CeSrGa3O7+δ Melilite.","Inorganic chemistry","2014","53","21","11589","11597","10.1021/ic501662p","","","1.225","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4345215","9.5206","0.0002","9.5206","0.0002","6.2002","0.0001","90","","90","","90","","561.997","0.019","293","","293","","","","","","","","","5","P -4 21 m","P -4 2ab","113","Sr2MnGe2S6O","","","- Ge2 Mn O S6 Sr2 -","- Ge2 Mn O S6 Sr2 -","- Ge4 Mn2 O2 S12 Sr4 -","2","0.25","","Endo, Takashi; Doi, Yoshihiro; Wakeshima, Makoto; Suzuki, Keita; Matsuo, Yasutaka; Tezuka, Keitaro; Ohtsuki, Takuya; Shan, Yue Jin; Hinatsu, Yukio","Magnetic Properties of the Melilite-Type Oxysulfide Sr2MnGe2S6O: Magnetic Interactions Enhanced by Anion Substitution.","Inorganic chemistry","2017","56","5","2459","2466","10.1021/acs.inorgchem.6b02505","powder diffraction","","1.54059","CuKα~1~","","0.03622","","","","","","0.03662","0.04127","2.0231","","","","","","","has coordinates","194800","2020-10-21","18:00:00",""
"4345216","9.4311","0.0002","9.4311","0.0002","6.1845","0.0001","90","","90","","90","","550.084","0.019","293","","293","","","","","","","","","5","P -4 21 m","P -4 2ab","113","Sr2ZnGe2S6O","","","- Ge2 O S6 Sr2 Zn -","- Ge2 O S6 Sr2 Zn -","- Ge4 O2 S12 Sr4 Zn2 -","2","0.25","","Endo, Takashi; Doi, Yoshihiro; Wakeshima, Makoto; Suzuki, Keita; Matsuo, Yasutaka; Tezuka, Keitaro; Ohtsuki, Takuya; Shan, Yue Jin; Hinatsu, Yukio","Magnetic Properties of the Melilite-Type Oxysulfide Sr2MnGe2S6O: Magnetic Interactions Enhanced by Anion Substitution.","Inorganic chemistry","2017","56","5","2459","2466","10.1021/acs.inorgchem.6b02505","powder diffraction","","1.54059","CuKα~1~","","0.00895","","","","","","0.00901","0.01534","1.8763","","","","","","","has coordinates","194800","2020-10-21","18:00:00",""
"4345238","26.6257","0.0004","26.6257","0.0004","20.2942","0.0006","90","","90","","90","","14387.1","0.5","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C37 H19 N6 O12 Zn3 -","- C37 H19 N6 O12 Zn3 -","- C296 H152 N48 O96 Zn24 -","8","1","","Jia, Xiao-Xia; Yao, Ru-Xin; Zhang, Fu-Qiang; Zhang, Xian-Ming","A Fluorescent Anionic MOF with Zn4(trz)2 Chain for Highly Selective Visual Sensing of Contaminants: Cr(III) Ion and TNP.","Inorganic chemistry","2017","56","5","2690","2696","10.1021/acs.inorgchem.6b02872","","x-ray","1.54184","CuKα","","0.0551","0.048","","","0.1312","0.1371","","","","","","1.019","","","","has coordinates","194786","2020-10-21","18:00:00",""
"4503946","16.8267","0.0006","16.8267","0.0006","8.9583","0.0006","90","","90","","90","","2536.4","0.2","100","2","100","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C36 H44 Cl4 Cu6 N24 O4 -","- C36 H44 Cl4 Cu6 N24 O4 -","- C72 H88 Cl8 Cu12 N48 O8 -","2","0.25","","Casarin, Maurizio; Cingolani, Augusto; Di Nicola, Corrado; Falcomer, Daniele; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio","The Different Supramolecular Arrangements of the Triangular [Cu3(μ3-OH)(μ-pz)3]2+(pz = Pyrazolate) Secondary Building Units. Synthesis of a Coordination Polymer with Permanent Hexagonal Channels","Crystal Growth & Design","2007","7","4","676","","10.1021/cg060501h","","","0.71073","MoKα","","0.0286","0.0273","","","0.0749","0.0755","","","","","","1.069","","","","has coordinates","264242","2021-04-16","08:52:18",""
"5000232","7.8279","0.001","7.8279","0.001","5.0138","0.0006","90","","90","","90","","307.2","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Dicalcium zinc disilicate","Hardystonite","- Ca2 O7 Si2 Zn -","- Ca2 O7 Si2 Zn -","- Ca4 O14 Si4 Zn2 -","2","0.25","","Louisnathan, S J","Refinemente of the crystal structure of Hardystonite, Ca2 Zn Si2 O7","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1969","130","","427","437","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"5900002","5.67","","5.67","","4.726","","90","","90","","90","","151.94","","","","","","","","","","","","","4","P -4 21 m","","113","","Diaminomethanal","","- C H4 N2 O -","- C N4 O -","- C2 N8 O2 -","2","0.25","","","","Strukturbericht","","3","","660","","","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"6000277","6.4535","","6.4535","","4.6197","","90","","90","","90","","192.4","","","","5","","","","","","","","","3","P -4 21 m","","","","","","- N Na3 O3 -","","","","","","Klosters, G.; Jansen, M.","Neutron diffraction study of the low-temperature phases of sodium oxide nitrite, Na3ONO2","Journal of Solid State Chemistry","1999","145","","267","275","10.1006/jssc.1999.8263","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000325","7.6889","","7.6889","","4.996","","90","","90","","90","","295.36","","","","","","","","","","","","","4","P -4 21 m","","","","","","- N4 O3 Si3 Sm2 -","","","","","","Lauterbach, R.; Schnick, W.","Sm2Si3O3N4 and Ln(2)Si(2.5)Al(0.5)O(3.5)N(3.5) (Ln = Ce, Pr, Nd, Sm, Gd) - a novel synthetic approach for the preparation of N-containing melilites and X-ray single-crystal structure determination","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1999","625","","429","434","10.1002/(SICI)1521-3749(199903)625:3<429::AID-ZAAC429>3.0.CO;2-T","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000326","7.792","","7.792","","5.0694","","90","","90","","90","","307.79","","","","","","","","","","","","","5","P -4 21 m","","","","","","- Al0.5 Ce2 N3.5 O3.5 Si2.5 -","","","","","","Lauterbach, R.; Schnick, W.","Sm2Si3O3N4 and Ln(2)Si(2.5)Al(0.5)O(3.5)N(3.5) (Ln = Ce, Pr, Nd, Sm, Gd) - a novel synthetic approach for the preparation of N-containing melilites and X-ray single-crystal structure determination","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1999","625","","429","434","10.1002/(SICI)1521-3749(199903)625:3<429::AID-ZAAC429>3.0.CO;2-T","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000327","7.7826","","7.7826","","5.0856","","90","","90","","90","","308.03","","","","","","","","","","","","","5","P -4 21 m","","","","","","- Al0.5 N3.5 O3.5 Pr2 Si2.5 -","","","","","","Lauterbach, R.; Schnick, W.","Sm2Si3O3N4 and Ln(2)Si(2.5)Al(0.5)O(3.5)N(3.5) (Ln = Ce, Pr, Nd, Sm, Gd) - a novel synthetic approach for the preparation of N-containing melilites and X-ray single-crystal structure determination","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1999","625","","429","434","10.1002/(SICI)1521-3749(199903)625:3<429::AID-ZAAC429>3.0.CO;2-T","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000328","7.7615","","7.7615","","5.067","","90","","90","","90","","305.24","","","","","","","","","","","","","5","P -4 21 m","","","","","","- Al0.5 N3.5 Nd2 O3.5 Si2.5 -","","","","","","Lauterbach, R.; Schnick, W.","Sm2Si3O3N4 and Ln(2)Si(2.5)Al(0.5)O(3.5)N(3.5) (Ln = Ce, Pr, Nd, Sm, Gd) - a novel synthetic approach for the preparation of N-containing melilites and X-ray single-crystal structure determination","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1999","625","","429","434","10.1002/(SICI)1521-3749(199903)625:3<429::AID-ZAAC429>3.0.CO;2-T","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000329","7.7263","","7.7263","","5.028","","90","","90","","90","","300.15","","","","","","","","","","","","","5","P -4 21 m","","","","","","- Al0.5 N3.5 O3.5 Si2.5 Sm2 -","","","","","","Lauterbach, R.; Schnick, W.","Sm2Si3O3N4 and Ln(2)Si(2.5)Al(0.5)O(3.5)N(3.5) (Ln = Ce, Pr, Nd, Sm, Gd) - a novel synthetic approach for the preparation of N-containing melilites and X-ray single-crystal structure determination","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1999","625","","429","434","10.1002/(SICI)1521-3749(199903)625:3<429::AID-ZAAC429>3.0.CO;2-T","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000330","7.7415","","7.7415","","5.0646","","90","","90","","90","","303.53","","","","","","","","","","","","","5","P -4 21 m","","","","","","- Al0.5 Gd2 N3.5 O3.5 Si2.5 -","","","","","","Lauterbach, R.; Schnick, W.","Sm2Si3O3N4 and Ln(2)Si(2.5)Al(0.5)O(3.5)N(3.5) (Ln = Ce, Pr, Nd, Sm, Gd) - a novel synthetic approach for the preparation of N-containing melilites and X-ray single-crystal structure determination","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1999","625","","429","434","10.1002/(SICI)1521-3749(199903)625:3<429::AID-ZAAC429>3.0.CO;2-T","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7003726","15.2","0.002","15.2","0.002","9.0022","0.0018","90","","90","","90","","2079.9","0.6","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C44 H60 Al2 N4 -","- C44 H54 Al2 N4 -","- C88 H108 Al4 N8 -","2","0.25","","Yao, Wei; Mu, Ying; Gao, Aihong; Gao, Wei; Ye, Ling","Bimetallic anilido-aldimine Al or Zn complexes for efficient ring-opening polymerization of ε-caprolactone","Dalton Transactions","2008","","24","3199","3206","10.1039/b719017d","","","0.71073","MoKα","","0.0696","0.0627","","","0.1753","0.1821","","","","","","1.05","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7008003","9.0431","0.0002","9.0431","0.0002","6.2387","0.0002","90","","90","","90","","510.19","0.02","193","2","193","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C4 H2 Cl4 O P2 -","- C4 H2 Cl4 O P2 -","- C8 H4 Cl8 O2 P4 -","2","0.25","","Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert","Synthesis and auration of primary and di-primary heteroaryl-phosphines.","Dalton transactions (Cambridge, England : 2003)","2005","","2","247","255","10.1039/b415326j","","","0.71073","MoKα","","0.0363","0.0358","","","0.0946","0.0955","","","","","","1.109","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7011248","7.729","0.003","7.729","0.003","7.167","0.002","90","","90","","90","","428.1","0.3","173","2","173","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","bis(butadiene) carbonyle manganese","","- C9 H12 Mn O -","- C9 H12 Mn O -","- C18 H24 Mn2 O2 -","2","0.25","","Guido J. Reiß; Stefan Konietzny","How realistic are alternating C‒C-bond lengths in s-cis-1,3-butadiene transition metal complexes?","J. Chem. Soc., Dalton Trans.","2002","","6","862","864","10.1039/b109454h","","","0.71073","MoKα","","0.013","0.0128","","","0.0328","0.0328","","","","","","1.092","","","","has coordinates,has disorder","179816","2020-10-21","18:00:00",""
"7011249","7.8215","0.0008","7.8215","0.0008","7.2234","0.0008","90","","90","","90","","441.9","0.08","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C9 H12 Mn O -","- C9 H12 Mn O -","- C18 H24 Mn2 O2 -","2","0.25","","Guido J. Reiß; Stefan Konietzny","How realistic are alternating C‒C-bond lengths in s-cis-1,3-butadiene transition metal complexes?","J. Chem. Soc., Dalton Trans.","2002","","6","862","864","10.1039/b109454h","","","0.71073","MoKα","","0.0203","0.0202","","","0.0526","0.0527","","","","","","1.04","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7014404","15.6517","0.0015","15.6517","0.0015","5.2707","0.0005","90","","90","","90","","1291.2","0.2","120","2","120","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","(1,5,9,13- tetraselenacyclohexadecane)bis(dichlorogermanium(ii)) dichloromethane solvate","(1,5,9,13-tetraselenacyclohexadecane)bis(dichlorogermanium(II)) dichloromethane solvate","","- C13 H26 Cl6 Ge2 Se4 -","- C13 H26 Cl6 Ge2 Se4 -","- C26 H52 Cl12 Ge4 Se8 -","2","0.25","","Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Supramolecular assemblies of germanium(II) halides with O-, S- and Se-donor macrocycles - the effects of donor atom type upon structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","694","700","10.1039/c0dt00749h","","","0.71073","MoKα","","0.0229","0.0199","","","0.0401","0.0414","","","","","","1.124","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7015227","13.998","0.002","13.998","0.002","8.6852","0.0017","90","","90","","90","","1701.8","0.5","293","2","293","2","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","","- C0.2 H2.3 Ag1.25 N0.1 O0.75 Rb0.65 Se3 Sn -","- Ag1.25 O0.75 Rb0.65 Se3 Sn -","- Ag10 O6 Rb5.2 Se24 Sn8 -","8","1","","Li, Jian-Rong; Huang, Xiao-Ying","[(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4387","4390","10.1039/c0dt01381a","","","0.71073","MoKα","","0.076","0.0639","","","0.1399","0.1471","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015228","13.8051","0.0008","13.8051","0.0008","9.6707","0.0009","90","","90","","90","","1843","0.2","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C1.5 H6 Ag1.25 N0.75 Se3 Sn -","- C1.5 H6.25 Ag1.25 N0.75 Se3 Sn -","- C12 H50 Ag10 N6 Se24 Sn8 -","8","1","","Li, Jian-Rong; Huang, Xiao-Ying","[(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4387","4390","10.1039/c0dt01381a","","","0.71073","MoKα","","0.0412","0.0366","","","0.0799","0.082","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015229","13.9886","0.0008","13.9886","0.0008","8.8534","0.0013","90","","90","","90","","1732.4","0.3","293","2","293","2","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","","- C0.1 H0.9 Ag1.25 Cs0.7 N0.05 O0.25 Se3 Sn -","- Ag1.25 Cs0.7 O0.25 Se3 Sn -","- Ag10 Cs5.6 O2 Se24 Sn8 -","8","1","","Li, Jian-Rong; Huang, Xiao-Ying","[(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4387","4390","10.1039/c0dt01381a","","","0.71073","MoKα","","0.0582","0.052","","","0.1423","0.1485","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015230","13.9087","0.0006","13.9087","0.0006","8.8618","0.0007","90","","90","","90","","1714.33","0.17","293","2","293","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C0.5 H5 Ag1.25 N0.75 O0.5 Se3 Sn -","- C0.5 Ag1.25 N0.75 O0.5 Se3 Sn -","- C4 Ag10 N6 O4 Se24 Sn8 -","8","1","","Li, Jian-Rong; Huang, Xiao-Ying","[(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4387","4390","10.1039/c0dt01381a","","","0.71073","MoKα","","0.0494","0.0465","","","0.091","0.0927","","","","","","1.152","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021288","23.0405","0.0003","23.0405","0.0003","15.9177","0.0002","90","","90","","90","","8450.14","0.19","90","2","90","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C72 H109 N6 Si6 U2 -","- C63 H88 N6 Si6 U2 -","- C252 H352 N24 Si24 U8 -","4","0.5","","Patel, Dipti; Tuna, Floriana; McInnes, Eric J L; McMaster, Jonathan; Lewis, William; Blake, Alexander J; Liddle, Stephen T","A triamido-uranium(V) inverse-sandwich 10π-toluene tetraanion arene complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5224","5227","10.1039/c3dt50255d","","","1.54184","CuKα","","0.0781","0.0724","","","0.19","0.1947","","","","","","1.099","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7024052","6.8212","0.0007","6.8212","0.0007","11.838","0.002","90","","90","","90","","550.81","0.12","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","3D-Cadmium sulphate","","","- C10 H8 Cd N2 O4 S -","- C10 H8 Cd N2 O4 S -","- C20 H16 Cd2 N4 O8 S2 -","2","0.25","","Paul, Avijit Kumar; Madras, Giridhar; Natarajan, Srinivasan","Synthesis, structure, transformation studies and catalytic properties of open-framework cadmium thiosulfate compounds.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2263","2279","10.1039/b908995k","","","0.71073","MoKα","","0.0503","0.0451","","","0.0792","0.0812","","","","","","1.185","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024705","13.057","0.0003","13.057","0.0003","6.5702","0.0004","90","","90","","90","","1120.12","0.08","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C15 H15 B Cl2 N10 Zn2 -","- C15 H15 B Cl2 N10 Zn2 -","- C30 H30 B2 Cl4 N20 Zn4 -","2","0.25","","Chen, Shumei; Zhang, Jian; Wu, Tao; Feng, Pingyun; Bu, Xianhui","Zinc(II)-boron(III)-imidazolate framework (ZBIF) with unusual pentagonal channels prepared from deep eutectic solvent.","Dalton transactions (Cambridge, England : 2003)","2010","39","3","697","699","10.1039/b920318b","","","0.71073","MoKα","","0.0432","0.0333","","","0.0628","0.0663","","","","","","0.983","","","","has coordinates","179952","2020-10-21","18:00:00",""
"7031042","16.67987","0.00011","16.67987","0.00011","15.01274","0.00017","90","","90","","90","","4176.82","0.06","160","1","160","1","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C31 H32 N4.67 S2 -","- C28 H26 N4 S2 -","- C168 H156 N24 S12 -","6","0.75","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.09","0.068","","","0.2111","0.2199","","","","","","1.088","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7041079","8.5606","0.0008","8.5606","0.0008","12.9538","0.0012","90","","90","","90","","949.3","0.15","173","2","173","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","haneb03","bis(cyclopentadienyl)zirconium(bis(tert-butoxide))","","- C18 H28 O2 Zr -","- C18 H28 O2 Zr -","- C36 H56 O4 Zr2 -","2","0.25","","Boyde, Nicholas C.; Rightmire, Nicholas R.; Bierschenk, Eric J.; Steelman, Grant W.; Hanusa, Timothy P.; Brennessel, William W.","Reaction environment and ligand lability in group 4 Cp2MXY (X, Y = Cl, OtBu) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18635","18642","10.1039/c6dt03199d","","","0.71073","MoKα","","0.0449","0.033","","","0.0758","0.0808","","","","","","1.031","","","","has coordinates,has disorder","190120","2020-10-21","18:00:00",""
"7041080","8.4676","0.0007","8.4676","0.0007","12.8196","0.0011","90","","90","","90","","919.17","0.13","100","0.5","100","0.5","","","","","","","","4","P -4 21 m","P -4 2ab","113","haneb04","bis(cyclopentadienyl)hafnium(bis(tert-butoxide))","","- C18 H28 Hf O2 -","- C18 H28 Hf O2 -","- C36 H56 Hf2 O4 -","2","0.25","","Boyde, Nicholas C.; Rightmire, Nicholas R.; Bierschenk, Eric J.; Steelman, Grant W.; Hanusa, Timothy P.; Brennessel, William W.","Reaction environment and ligand lability in group 4 Cp2MXY (X, Y = Cl, OtBu) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18635","18642","10.1039/c6dt03199d","","","0.71073","MoKα","","0.044","0.0391","","","0.0908","0.0927","","","","","","1.17","","","","has coordinates,has disorder","190120","2020-10-21","18:00:00",""
"7047315","8.0305","0.0004","8.0305","0.0004","5.1718","0.0005","90","","90","","90","","333.52","0.04","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Eu2 Mg O7 Si2 -","- Eu2 Mg O7 Si2 -","- Eu4 Mg2 O14 Si4 -","2","0.25","","Chi, Yang; Xue, Huai-Guo; Guo, Sheng-Ping","The first investigation of europium silicate melilite for second-order nonlinear optical application: experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13434","13441","10.1039/c8dt02701c","","","0.71073","MoKα","","0.0295","0.029","","","0.1014","0.1018","","","","","","1.048","","","","has coordinates","230017","2020-10-21","18:00:00",""
"7051329","8.6698","0.0004","8.6698","0.0004","5.2977","0.0003","90","","90","","90","","398.2","0.03","100","2","100","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C4 H14 Br N3 -","- C4 H14 Br N3 -","- C8 H28 Br2 N6 -","2","0.25","","","","New Journal of Chemistry","2000","","","","","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7054114","7.2927","0.0002","7.2927","0.0002","10.5726","0.0003","90","","90","","90","","562.29","0.03","293","2","293","2","","","","","","","","3","P -4 21 m","P -4 2ab","113","","","","- Mo3 O12 Y2 -","- Mo3 O12 Y2 -","- Mo6 O24 Y4 -","2","0.25","","Laufer, Sonja; Strobel, Sabine; Schleid, Thomas; Cybinska, Joanna; Mudring, Anja-Verena; Hartenbach, Ingo","Yttrium(iii) oxomolybdates(vi) as potential host materials for luminescence applications: an investigation of Eu3±doped Y2[MoO4]3 and Y2[MoO4]2[Mo2O7]","New Journal of Chemistry","2013","37","7","1919","","10.1039/c3nj00166k","","","0.71073","MoKα","","0.0252","0.0221","","","0.0431","0.0439","","","","","","1.058","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7063440","7.2871","0.0003","7.2871","0.0003","4.2516","0.0003","90","","90","","90","","225.77","0.02","298","2","298","2","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Ba Se3 -","- Ba Se3 -","- Ba2 Se6 -","2","0.25","","Srivastava, Komal; Ray, Akshay K.; Yadav, Sweta; Deepa, Melepurath; Prakash, Jai","A low-temperature solution route for the synthesis of single crystals of BaSe3 and its photovoltaic study","New Journal of Chemistry","2024","48","38","16869","16876","10.1039/D4NJ03041A","","","0.71073","MoKα","","0.0149","0.0139","","","0.0324","0.0329","","","","","","1.154","","","","has coordinates","295322","2024-10-06","09:07:47",""
"7100885","15.094","0.001","15.094","0.001","8.1109","0.0004","90","","90","","90","","1847.9","0.2","100","2","100","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C26 H51 Br Cl2 Fe2 N10 O9 -","- C26 H51 Br Cl2 Fe2 N10 O9 -","- C52 H102 Br2 Cl4 Fe4 N20 O18 -","2","0.25","","Pitarch Lopez, J.; Kampf, H.; Heinemann, F. W.; Prakash, R.; Grohmann, A.","A non-heme dinuclear iron(II) complex containing a single, unsupported hydroxo bridge","Chemical Communications","2006","","","","","10.1039/b517635b","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7106531","21.411","0.002","21.411","0.002","7.5217","0.0008","90","","90","","90","","3448.2","0.6","233","2","233","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C76 H48 Cl5 F20 N6 -","- C76 H44 Cl5 F20 N6 -","- C152 H88 Cl10 F40 N12 -","2","0.25","","Se-Young Kee; Jong Min Lim; Soo-Jin Kim; Jaeduk Yoo; Jung-Su Park; Tridib Sarma; Vincent M. Lynch; Pradeepta K. Panda; Jonathan L. Sessler; Dongho Kim; Chang-Hee Lee","Conformational and spectroscopic properties of p-extended, bipyrrole-fused rubyrin and sapphyrin derivatives","Chem.Commun.","2011","47","","6813","","10.1039/c1cc11733e","","","0.71075","MoKα","","0.0877","0.0526","","","0.1248","0.1409","","","","","","1.182","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7107259","17.2215","0.0004","17.2215","0.0004","17.1168","0.0012","90","","90","","90","","5076.5","0.4","292","2","292","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C45 H30 O16 Zn4 -","- C45 H30 O16 Zn4 -","- C90 H60 O32 Zn8 -","2","0.25","","Rajesh K. Deshpande; Geoffrey I. N. Waterhouse; Geoffrey B. Jameson; Shane G. Telfer","Photolabile protecting groups in metal-organic frameworks: preventing interpenetration and masking functional groups","Chem.Commun.","2012","48","","1574","","10.1039/c1cc12884a","","","1.54178","CuKα","","0.0692","0.0666","","","0.2125","0.2202","","","","","","1.11","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7116071","19.378","0.002","19.378","0.002","12.1215","0.0013","90","","90","","90","","4551.7","0.8","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C88 H109.36 Cl1.36 O8 S8 -","- C88 H108 Cl1.36 O8 S8 -","- C176 H216 Cl2.72 O16 S16 -","2","0.25","","Simon A. Herbert; Agnieszka Janiak; Praveen K. Thallapally; Jerry L. Atwood; Leonard J. Barbour","Diffusion of vaporous guests into a seemingly non-porous organic crystal","Chem.Commun.","2014","50","","15509","","10.1039/C4cc07366E","","","0.71073","MoKα","","0.0581","0.0457","","","0.11","0.1187","","","","","","1.069","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116072","19.3652","0.0019","19.3652","0.0019","12.1189","0.0012","90","","90","","90","","4544.7","0.8","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C88 H113.08 Cl0.2 O8.44 S8 -","- C88 H114 Cl0.2 O8.44 S8 -","- C176 H228 Cl0.4 O16.88 S16 -","2","0.25","","Simon A. Herbert; Agnieszka Janiak; Praveen K. Thallapally; Jerry L. Atwood; Leonard J. Barbour","Diffusion of vaporous guests into a seemingly non-porous organic crystal","Chem.Commun.","2014","50","","15509","","10.1039/C4cc07366E","","","0.71073","MoKα","","0.0521","0.0408","","","0.0911","0.0979","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116073","19.544","0.003","19.544","0.003","11.924","0.002","90","","90","","90","","4554.6","1.2","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C88 H112 I0.8 O8 S8 -","- C88 H112 I0.8 O8 S8 -","- C176 H224 I1.6 O16 S16 -","2","0.25","","Simon A. Herbert; Agnieszka Janiak; Praveen K. Thallapally; Jerry L. Atwood; Leonard J. Barbour","Diffusion of vaporous guests into a seemingly non-porous organic crystal","Chem.Commun.","2014","50","","15509","","10.1039/C4cc07366E","","","0.71073","MoKα","","0.0621","0.0537","","","0.1456","0.1536","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116074","19.523","0.002","19.523","0.002","11.9511","0.0012","90","","90","","90","","4555.1","0.8","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C88 H113 I0.8 O9 S8 -","- C88 H111.6 I0.8 O9 S8 -","- C176 H223.2 I1.6 O18 S16 -","2","0.25","","Simon A. Herbert; Agnieszka Janiak; Praveen K. Thallapally; Jerry L. Atwood; Leonard J. Barbour","Diffusion of vaporous guests into a seemingly non-porous organic crystal","Chem.Commun.","2014","50","","15509","","10.1039/C4cc07366E","","","0.71073","MoKα","","0.0725","0.0611","","","0.1718","0.1841","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7118915","27.646","0.005","27.646","0.005","17.306","0.003","90","","90","","90","","13227","4","107","2","107","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C145 H161 Co24 N9 O101 -","- C145 H161 Co24 N9 O101 -","- C290 H322 Co48 N18 O202 -","2","0.25","","Liang, Guang-Ming; Ni, Qing-Ling; Zou, Hua-Hong; Gui, Liu-Cheng; Wang, Xiu-Jian","Rare double spin canting antiferromagnetic behaviours in a [Co24] cluster.","Chemical communications (Cambridge, England)","2016","52","30","5293","5296","10.1039/c6cc00568c","","","0.75","synchrotron","","0.0695","0.0662","","","0.1834","0.1883","","","","","","1.038","","","","has coordinates","182596","2020-10-21","18:00:00",""
"7120460","9.1662","0.0008","9.1662","0.0008","14.722","0.002","90","","90","","90","","1236.9","0.2","155","2","155","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C14 H31 Co F12 N5 P2 -","- C13.25 H31 Co F12 N4.25 P2 -","- C26.5 H62 Co2 F24 N8.5 P4 -","2","0.25","","Cui, Hui-Hui; Wang, Jing; Chen, Xue-tai; Xue, Zi-Ling","Slow magnetic relaxation in five-coordinate spin-crossover cobalt(II) complexes","Chem. Commun.","2017","","","","","10.1039/C7CC04785A","","","0.71073","MoKα","","0.077","0.0723","","","0.2242","0.229","","","","","","1.168","","","","has coordinates,has disorder","198767","2020-10-21","18:00:00",""
"7124379","12.9345","0.0004","12.9345","0.0004","8.9057","0.0005","90","","90","","90","","1489.94","0.11","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C0.75 H4.5 Cu1.25 Ge N0.75 Se3 -","- C0.75 H4.75 Cu1.25 Ge N0.75 Se3 -","- C6 H38 Cu10 Ge8 N6 Se24 -","8","1","","Liu, Hua-Wei; Wang, Kai-Yao; Ding, Dong; Sun, Meng; Cheng, Lin; Wang, Cheng","Deep Eutectic Solvothermal Synthesis of an Open Framework Copper Selenidogermanate with pH-resistant Cs+ Ion Exchange Property","Chemical Communications","2019","","","","","10.1039/C9CC06906B","","","0.71073","MoKα","","0.0358","0.03","","","0.0707","0.0731","","","","","","1.013","","","","has coordinates","219501","2020-10-21","18:00:00",""
"7124380","12.9557","0.0003","12.9557","0.0003","8.728","0.0006","90","","90","","90","","1465","0.11","293","2","293","2","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","","- C0.05 H0.8 Cs0.7 Cu1.25 Ge N0.05 O0.25 Se3 -","- Cs0.7 Cu1.25 Ge O0.25 Se3 -","- Cs5.6 Cu10 Ge8 O2 Se24 -","8","1","","Liu, Hua-Wei; Wang, Kai-Yao; Ding, Dong; Sun, Meng; Cheng, Lin; Wang, Cheng","Deep Eutectic Solvothermal Synthesis of an Open Framework Copper Selenidogermanate with pH-resistant Cs+ Ion Exchange Property","Chemical Communications","2019","","","","","10.1039/C9CC06906B","","","0.71073","MoKα","","0.0295","0.0273","","","0.0616","0.0622","","","","","","1.007","","","","has coordinates","219501","2020-10-21","18:00:00",""
"7125144","16.3764","0.0007","16.3764","","4.1533","0.0005","90","","90","","90","","1113.86","0.14","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.13329","","1.94","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125145","16.2024","0.0008","16.2024","","4.004","0.0009","90","","90","","90","","1051.1","0.2","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.13139","","2.16","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125146","16.0383","0.0014","16.0383","","3.8839","0.0017","90","","90","","90","","999","0.4","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.1197","","3.01","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125147","15.9987","0.0015","15.9987","","3.87","0.0021","90","","90","","90","","990.6","0.5","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.07813","","3.18","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125148","15.9908","0.0013","15.9908","","3.8382","0.0022","90","","90","","90","","981.4","0.6","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.15558","","2.82","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125149","15.9014","0.0014","15.9014","","3.784","0.0024","90","","90","","90","","956.8","0.6","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.26072","","2.91","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125150","15.8651","0.0016","15.8651","","3.765","0.0026","90","","90","","90","","947.7","0.7","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.21246","","3.2","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125151","15.7336","0.0018","15.7336","","3.7167","0.0027","90","","90","","90","","920.1","0.7","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.16206","","3.5","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125152","15.7128","0.0016","15.7128","","3.6914","0.0026","90","","90","","90","","911.4","0.6","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.10699","","3.18","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125153","15.6976","0.0015","15.6976","","3.6631","0.0023","90","","90","","90","","902.6","0.6","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","synchrotron","","","","","","","","0.23704","","3.07","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125154","15.6831","0.0015","15.6831","","3.6436","0.0024","90","","90","","90","","896.2","0.6","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.171","","3.09","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125155","16.4704","0.0006","16.4704","0.0006","4.2345","0.0002","90","","90","","90","","1148.71","0.08","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","","","0.71073","MoKα","","0.0974","0.0509","","","0.0711","0.082","","","","","","1.032","","","","has coordinates","234558","2020-10-21","18:00:00",""
"7126022","4.41084","0.00004","4.41084","0.00004","9.06779","0.00017","90","","90","","90","","176.418","0.004","298","","298","","","","","","","","Synthesis","4","P -4 21 m","P -4 2ab","113","Sodium ethoxylate; sodium ethanolate","Sodium ethoxide","","- C2 H5 Na O -","- C2 H5 Na O -","- C4 H10 Na2 O2 -","2","0.25","","Beske, Maurice; Tapmeyer, Lukas; Schmidt, Martin U.","Crystal structure of sodium ethoxide (C<sub>2</sub>H<sub>5</sub>ONa), unravelled after 180 years.","Chemical communications (Cambridge, England)","2020","56","24","3520","3523","10.1039/c9cc08907a","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","2.58848","1.58217","","","","","","","has coordinates","250154","2020-10-21","18:00:00",""
"7126250","9.2755","0.0006","9.2755","0.0006","5.8368","0.0004","90","","90","","90","","502.17","0.06","173","2","173","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C4 H12 Cl2 Ga N -","- C4 H12 Cl2 Ga N -","- C8 H24 Cl4 Ga2 N2 -","2","0.25","","Wu, Qi; Liu, Xian; Du, Yeshuang; Teng, Chunlin; Liang, Fei","Nonlinear organic-inorganic halide hybrids containing unprecedented linear [MIX<sub>2</sub>]<sup>-</sup> coordination units and quasi-two-dimensional lone pairs.","Chemical communications (Cambridge, England)","2020","56","36","4894","4897","10.1039/d0cc01532f","","","0.71073","MoKα","","0.0781","0.0744","","","0.2099","0.2133","","","","","","1.106","","","","has coordinates","252716","2020-10-21","18:00:00",""
"7126251","9.2807","0.0001","9.2807","0.0001","5.8414","0.0002","90","","90","","90","","503.128","0.019","173","2","173","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C4 H12 Cl2 In N -","- C4 H12 Cl2 In N -","- C8 H24 Cl4 In2 N2 -","2","0.25","","Wu, Qi; Liu, Xian; Du, Yeshuang; Teng, Chunlin; Liang, Fei","Nonlinear organic-inorganic halide hybrids containing unprecedented linear [MIX<sub>2</sub>]<sup>-</sup> coordination units and quasi-two-dimensional lone pairs.","Chemical communications (Cambridge, England)","2020","56","36","4894","4897","10.1039/d0cc01532f","","","0.71073","MoKα","","0.0152","0.0152","","","0.0416","0.0416","","","","","","1.145","","","","has coordinates","252716","2020-10-21","18:00:00",""
"7127207","17.2","0.0012","17.2","0.0012","17.2","0.0012","90","","90","","90","","5088.4","0.6","292","2","292","","","","","","","","","5","P -4 21 m","P -4 2ab","113","WUF-52","","","- C51 H33 N3 O13 Zn4 -","- C51 H33 N2.5 O13 Zn4 -","- C102 H66 N5 O26 Zn8 -","2","0.25","","Fishburn, Mitchell G.; Skelton, Dayne R.; Telfer, Shane G.; Wagner, Pawel; Richardson, Christopher","Second-order programming the synthesis of metal-organic frameworks.","Chemical communications (Cambridge, England)","2020","56","82","12355","12358","10.1039/d0cc05451h","","","1.54178","CuKα","","0.1106","0.1015","","","0.2332","0.2487","","","","","","1.088","","","","has coordinates,has disorder","260716","2021-01-07","05:00:22",""
"7128970","16.1915","0.0004","16.1915","0.0004","4.0757","0.0001","90","","90","","90","","1068.5","0.05","1.85","","1.85","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Robertson, Craig M.; Winter, Stephen M.; Howard, Judith A. K.; Probert, Michael R.; Oakley, Richard T.","Low temperature insights into the crystal and magnetic structure of a neutral radical ferromagnet.","Chemical communications (Cambridge, England)","2021","57","79","10238","10241","10.1039/d1cc03842g","","","0.71073","MoKα","","0.0358","0.0252","","","0.0408","0.0431","","","","","","1.049","","","","has coordinates","270360","2021-11-06","18:48:08",""
"7129360","18.172","0.003","18.172","0.003","11.769","0.003","90","","90","","90","","3886.4","1.3","100","2","100","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C73 H104 B2 Cl2 Ge2 N4 Si4 -","- C73 H104 B2 Cl2 Ge2 N4 Si4 -","- C146 H208 B4 Cl4 Ge4 N8 Si8 -","2","0.25","","Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P.","Borole-based half-sandwich complexes of germanium and tin","Chemical Communications","2021","","","","","10.1039/D1CC06227A","","x-ray","0.71073","MoKα","","0.0289","0.0264","","","0.0611","0.0622","","","","","","1.079","","","","has coordinates,has disorder","271273","2021-12-08","22:57:33",""
"7158650","20.4662","0.0003","20.4662","0.0003","5.0315","0.0001","90","","90","","90","","2107.52","0.06","100","0.1","100","0.1","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C21 H26 Co N2 O5 -","- C21 H26 Co N2 O5 -","- C84 H104 Co4 N8 O20 -","4","0.5","","Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","Synthesis of acyloin natural products by Mukaiyama hydration.","Organic & biomolecular chemistry","2022","20","19","4038","4047","10.1039/d2ob00651k","","x-ray","1.54184","CuKα","","0.0475","0.0393","","","0.0989","0.1077","","","","","","1.069","","","","has coordinates","275822","2022-06-06","02:04:06",""
"7202908","9.9917","0.0014","9.9917","0.0014","9.978","0.002","90","","90","","90","","996.1","0.3","20","2","20","0.1","","","","","","","","3","P -4 21 m","P -4 2ab","113","","","","- Ga Nb4 S8 -","- Ga Nb4 S8 -","- Ga4 Nb16 S32 -","4","0.5","","Jakob, Stefanie; Müller, Helen; Johrendt, Dirk; Altmannshofer, Sandra; Scherer, Wolfgang; Rayaprol, Sudhindra; Pöttgen, Rainer","Structural and magnetic transitions in the Mott insulator GaNb4S8","Journal of Materials Chemistry","2007","17","36","3833","","10.1039/b704943a","","","0.71073","MoKα","","0.0273","0.0265","","","0.0778","0.079","","","","","","1.145","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7204283","11.9181","0.0002","11.9181","0.0002","8.2009","0.0002","90","","90","","90","","1164.86","0.04","295","2","295","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C16 H2 F12 N4 O6 Os2 -","- C16 H2 F12 N4 O6 Os2 -","- C32 H4 F24 N8 O12 Os4 -","2","0.25","","Chi, Yun; Yu, Huan-Li; Ching, Wei-Li; Liu, Chao-Shiuan; Chen, Yao-Lun; Chou, Tsung-Yi; Peng, Shie-Ming; Lee, Gene-Hsiang","Deposition of osmium thin films using pyrazolate complexes as CVD source reagents","Journal of Materials Chemistry","2002","12","5","1363","","10.1039/b109150f","","","0.71073","MoKα","","0.0157","0.0146","","","0.0363","0.0365","","","","","","1.094","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204667","6.8307","0.001","6.8307","0.001","14.404","0.002","90","","90","","90","","672.07","0.17","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C12 H8 Cd N2 O4 S -","- C12 H8 Cd N2 O4 S -","- C24 H16 Cd2 N4 O8 S2 -","2","0.25","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.0231","0.0208","","0.0483","0.0479","","","","1.044","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7214571","7.9005","0.0011","7.9005","0.0011","8.1982","0.0016","90","","90","","90","","511.71","0.14","120","0.2","120","0.2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.25","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.71073","MoKα","","0.0322","0.0175","","","0.0469","0.0483","","","","","","1.02","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7214573","7.869","0.0011","7.869","0.0011","8.248","0.0016","90","","90","","90","","510.73","0.14","20","2","20","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.25","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.832","neutron","","0.0554","0.0416","","","0.0857","0.0935","","","","","","1.07","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7218400","16.466","0.004","16.466","0.004","14.115","0.006","90","","90","","90","","3827","2","296","2","296","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- Cu4 H23 N0 Na2 O76 Sb2 W18 -","- Cu4 Na2 O76 Sb2 W18 -","- Cu8 Na4 O152 Sb4 W36 -","2","0.25","","Xue, Xiaolong; Zhao, Xiaofang; Zhang, Deshun; Han, Zhangang; Yu, haitao; Zhai, Xueliang","Synthesis of a Novel CuI/CuII-containing Sandwich-type Cluster and Its Catalytic Electron Transfer Property","RSC Adv.","2014","","","","","10.1039/C4RA08145E","","","0.71073","MoKα","","0.0302","0.0265","","","0.0651","0.0674","","","","","","1.045","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7221384","9.6359","","9.6359","","6.4506","","90","","90","","90","","598.942","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Ba2 Zn Ge2 S6 O","","- Ba2 Ge2 O S6 Zn -","- Ba2 Ge2 O S6 Zn -","- Ba4 Ge4 O2 S12 Zn2 -","2","0.25","","Teske, C.L.","Ba2 Zn Ge2 S6 O: Ein neues Oxidsulfid mit Tetraedergerueststruktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","672","675","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221478","7.2802","","7.2802","","4.2495","","90","","90","","90","","225.229","","","","","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Ba Se3 -","- Ba Se3 -","- Ba2 Se6 -","2","0.25","","Hulliger, F.; Siegrist, T.","The Crystal Structures of Ba Se2 and Ba Se3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","14","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222819","10.0656","","10.0656","","11.0127","","90","","90","","90","","1115.77","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Cs2 (B6 H4 (N O2)2)","","- B6 Cs2 H4 N2 O4 -","- B6 Cs2 H4 N2 O4 -","- B24 Cs8 H16 N8 O16 -","4","0.5","","Franken, A.; Preetz, W.","Darstellung, 11B-NMR- und Schwingungsspektren von cis-Dinitrotetrahydro-closo-hexaborate(2-), cis-(B6 H4 (N O2)2)2sowie Kristallstruktur von cis-Cs2 (B6 H4 (N O2)2)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1030","1034","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223883","31.3553","0.0012","31.3553","0.0012","21.721","0.0008","90","","90","","90","","21355.1","1.4","100","2","100","2","","","","","","","","10","P -4 21 m","P -4 2ab","113","","","","- C296 H264 B11 Co4 F80 N80 Na O16 P6 Ru4 -","- C296 H264 B7 Co4 F64 N80 Na O16 P6 Ru4 -","- C592 H528 B14 Co8 F128 N160 Na2 O32 P12 Ru8 -","2","0.25","","Metherell, Alexander; Ward, Michael D.","Stepwise synthesis of mixed-metal assemblies using pre-formed Ru(II) ‘complex ligands’ as building blocks","RSC Adv.","2016","","","","","10.1039/C5RA22694E","","","0.71073","MoKα","","0.1115","0.0794","","","0.2209","0.2499","","","","","","1.033","","","","has coordinates,has disorder","174499","2020-10-21","18:00:00",""
"7224458","13.8543","0.001","13.8543","0.001","9.9079","0.001","90","","90","","90","","1901.7","0.3","180","","180","","","","101","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C42.54 H45.07 Cl1.07 O6 -","- C42.536 H45.072 Cl1.072 O6 -","- C85.072 H90.144 Cl2.144 O12 -","2","0.25","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.54184","CuKα","","0.0622","0.0584","","0.1459","0.1417","0.1459","","","","","","0.9885","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7233205","5.286","0.0007","5.286","0.0007","9.066","0.0018","90","","90","","90","","253.32","0.07","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Cd Mo O6 Te -","- Cd Mo O6 Te -","- Cd2 Mo2 O12 Te2 -","2","0.25","","Sangen Zhao; Xingxing Jiang; Ran He; Shu-quan Zhang; Zhihua Sun; Junhua Luo; Zheshuai Lin; Maochun Honga","A combination of multiple chromophores enhances second-harmonic generation in a nonpolar noncentrosymmetric oxide: CdTeMoO6","Journal of Materials Chemistry C","2013","1","","2906","2912","10.1039/C3TC30151F","","","0.71073","MoKα","","0.0156","0.0147","","","0.0348","0.0354","","","","","","1.034","","","","has coordinates","288221","2023-12-11","22:20:44",""
"7234287","8.8169","0.001","8.8169","0.001","6.4562","0.0012","90","","90","","90","","501.89","0.12","453","2","453","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C6 H8 Mn N2 O6 -","- C6 H8 Mn N2 O6 -","- C12 H16 Mn2 N4 O12 -","2","0.25","","Fang-Fang Wang; Cheng Chen; Yi Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","A prominent dielectric material with extremely high-temperature and reversible phase transition in the high thermally stable perovskite-like architecture","Journal of Materials Chemistry C","2015","3","","6350","6358","10.1039/C5TC01004G","","","0.71073","MoKα","","0.1174","0.0879","","","0.2006","0.2173","","","","","","1.202","","","","has coordinates","219005","2020-10-21","18:00:00",""
"7236897","20.669","0.005","20.669","0.005","8.603","0.003","90","","90","","90","","3675.3","1.8","253","2","253","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C60 H88 B4 Fe2 N24 O0 -","- C60 H88 B4 Fe2 N24 -","- C120 H176 B8 Fe4 N48 -","2","0.25","","Iasco, O.; Boillot, M.-L.; Bellec, A.; Guillot, R.; Rivière, E.; Mazerat, S.; Nowak, S.; Morineau, D.; Brosseau, A.; Miserque, F.; Repain, V.; Mallah, T.","The disentangling of hysteretic spin transition, polymorphism and metastability in bistable thin films formed by sublimation of bis(scorpionate) Fe(ii) molecules","Journal of Materials Chemistry C","2017","5","42","11067","","10.1039/C7TC03276E","","","0.71073","MoKα","","0.3011","0.1233","","","0.2503","0.3314","","","","","","1.035","","","","has coordinates","236612","2020-10-21","18:00:00",""
"7240931","17.212","0.003","17.212","0.003","17.168","0.0018","90","","90","","90","","5086.1","1.4","293","","293","","","","","","","","","4","P -4 21 m","P -4 2ab","113","wuf-30","","","- C48 H30 O16 Zn4 -","- C48 H29.5 O16 Zn4 -","- C96 H59 O32 Zn8 -","2","0.25","","Ablott, Timothy Andrew; Telfer, Shane; Richardson, Christopher","A post-synthetically reduced borane-functionalised metal-organic framework with oxidation-inhibiting reactivity","CrystEngComm","2020","","","","","10.1039/D0CE00930J","","x-ray","1.54178","CuKα","","0.1844","0.1781","","","0.4773","0.4859","","","","","","1.925","","","","has coordinates,has disorder","254530","2020-10-21","18:00:00",""
"7240932","17.1805","0.0003","17.1805","0.0003","17.1173","0.0006","90","","90","","90","","5052.5","0.2","292","","292","","","","","","","","","4","P -4 21 m","P -4 2ab","113","WUF-31","","","- C48 H36 O16 Zn4 -","- C47.5 H35.5 O16 Zn4 -","- C95 H71 O32 Zn8 -","2","0.25","","Ablott, Timothy Andrew; Telfer, Shane; Richardson, Christopher","A post-synthetically reduced borane-functionalised metal-organic framework with oxidation-inhibiting reactivity","CrystEngComm","2020","","","","","10.1039/D0CE00930J","","","1.54178","CuKα","","0.0835","0.0741","","","0.2323","0.2433","","","","","","1.166","","","","has coordinates,has disorder","254530","2020-10-21","18:00:00",""
"7242958","13.1512","0.0005","13.1512","0.0005","4.3773","0.0003","90","","90","","90","","757.07","0.07","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C10 H16 Ag N5 O3 S2 -","- C10 H16 Ag N5 O3 S2 -","- C20 H32 Ag2 N10 O6 S4 -","2","0.25","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","0.71073","MoKα","","0.0373","0.0284","","","0.0532","0.058","","","","","","1.044","","","","has coordinates,has disorder","268643","2021-09-06","10:23:04",""
"7242959","13.1198","0.0003","13.1198","0.0003","4.686","0.0002","90","","90","","90","","806.6","0.04","293","2","293","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C10 H16 Ag Cl N4 O4 S2 -","- C10 H16 Ag Cl N4 O4 S2 -","- C20 H32 Ag2 Cl2 N8 O8 S4 -","2","0.25","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","1.54184","CuKα","","0.0295","0.026","","","0.0639","0.0666","","","","","","1.038","","","","has coordinates","268643","2021-09-06","10:23:05",""
"7245028","9.608","0.0002","9.608","0.0002","6.2085","0.0002","90","","90","","90","","573.13","0.03","300","2","300","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cd Ge2 O S6 Sr2 -","- Cd Ge2 O S6 Sr2 -","- Cd2 Ge4 O2 S12 Sr4 -","2","0.25","","Tian, Xinyu; Zhang, Xiaodong; Xiao, Yan; Wu, Xiaowen; Zhang, Bingbing; Yang, Daqing; Wu, Kui","From oxides to oxysulfides: the mixed-anion GeS3O unit induces huge improvement in the nonlinear optical effect and optical anisotropy for potential nonlinear optical materials","RSC Advances","2022","12","25","16296","16300","10.1039/D2RA02605H","","","0.71073","MoKα","","0.0102","0.01","","","0.0231","0.0232","","","","","","0.877","","","","has coordinates","275736","2022-06-02","01:27:38",""
"7245029","9.4322","0.0006","9.4322","0.0006","6.1813","0.0005","90","","90","","90","","549.93","0.07","300","2","300","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ge2 O S6 Sr2 Zn -","- Ge2 O S6 Sr2 Zn -","- Ge4 O2 S12 Sr4 Zn2 -","2","0.25","","Tian, Xinyu; Zhang, Xiaodong; Xiao, Yan; Wu, Xiaowen; Zhang, Bingbing; Yang, Daqing; Wu, Kui","From oxides to oxysulfides: the mixed-anion GeS3O unit induces huge improvement in the nonlinear optical effect and optical anisotropy for potential nonlinear optical materials","RSC Advances","2022","12","25","16296","16300","10.1039/D2RA02605H","","","0.71073","MoKα","","0.0132","0.0128","","","0.0285","0.0286","","","","","","0.862","","","","has coordinates","275736","2022-06-02","01:27:39",""
"7249574","9.3838","0.0007","9.3838","0.0007","6.1509","0.0007","90","","90","","90","","541.62","0.08","296.15","","296.15","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Eu2 Ge2 O S6 Zn -","- Eu2 Ge2 O S6 Zn -","- Eu4 Ge4 O2 S12 Zn2 -","2","0.25","","Wang, Guili; Wu, Wentian; Li, Chunxiao; Yao, Jiyong","Rare-earth oxychalcogenide Eu2ZnGe2OS6: a phase-matching infrared nonlinear optical material with [GeOS3] units","CrystEngComm","2024","26","47","6683","6687","10.1039/D4CE01051E","","","0.71073","MoKα","","0.0228","0.0219","","","0.05","0.0505","","","","","","1.104","","","","has coordinates","296480","2024-12-06","17:43:18",""
"7707971","13.1203","0.0003","13.1203","0.0003","8.6767","0.0004","90","","90","","90","","1493.63","0.08","150.01","0.1","150.15","","","","","","","","","7","P -4 21 m","P -4 2ab","113","","tBuPONNOPCu2Cl2","","- C24 H40 Cl2 Cu2 N2 O2 P2 -","- C24 H40 Cl2 Cu2 N2 O2 P2 -","- C48 H80 Cl4 Cu4 N4 O4 P4 -","2","0.25","","Delaney, Andie R.; Yu, Li-Juan; Coote, Michelle L.; Colebatch, Annie L.","Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11909","11917","10.1039/d1dt01741a","","x-ray","0.71073","MoKα","","0.0309","0.0259","","","0.0529","0.0554","","","","","","1.107","","","","has coordinates","268807","2021-09-06","11:28:53",""
"7707975","13.1956","0.0001","13.1956","0.0001","8.8786","0.0001","90","","90","","90","","1545.98","0.02","150","0.1","150","0.1","","","","","","","","7","P -4 21 m","P -4 2ab","113","","tBuPONNOPCu2I2","","- C24 H40 Cu2 I2 N2 O2 P2 -","- C24 H40 Cu2 I2 N2 O2 P2 -","- C48 H80 Cu4 I4 N4 O4 P4 -","2","0.25","","Delaney, Andie R.; Yu, Li-Juan; Coote, Michelle L.; Colebatch, Annie L.","Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11909","11917","10.1039/d1dt01741a","","x-ray","1.54184","CuKα","","0.0402","0.0401","","","0.0986","0.0988","","","","","","1.142","","","","has coordinates","268807","2021-09-06","11:28:53",""
"7711733","25.0069","0.0008","25.0069","0.0008","8.2746","0.0004","90","","90","","90","","5174.5","0.3","296","2","296","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C74 H88 Cl5 Cu4 N12 Na O34 -","- C74 H80 Cl5 Cu4 N12 Na O34 -","- C148 H160 Cl10 Cu8 N24 Na2 O68 -","2","0.25","","Gogia, Alisha; Khullar, Sadhika; Chanda, Alokananda; Mandal, Sanjay K.","Effect of the flexible chain length of a dimetal subunit on the formation of 1D coordination polymers to molecular rectangles","Dalton Transactions","2022","","","","","10.1039/D2DT02850F","","","0.71073","MoKα","","0.1555","0.1192","","","0.3178","0.3464","","","","","","1.288","","","","has coordinates","279129","2022-11-09","00:03:46",""
"7712999","13.4047","0.0006","13.4047","0.0006","8.4141","0.0006","90","","90","","90","","1511.9","0.14","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C3 H15 Br4 Cu N6 -","- C3 H15 Br4 Cu N6 -","- C12 H60 Br16 Cu4 N24 -","4","0.5","","Belikova, Daria E.; Fateev, Sergey A.; Khrustalev, Victor N.; Marchenko, Ekaterina I.; Goodilin, Eugene A.; Wang, Shenghao; Tarasov, Alexey B.","Exceptional structural diversity of hybrid halocuprates(I) with methylammonium and formamidinium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00687e","","","0.71073","MoKα","","0.1521","0.097","","","0.1862","0.2154","","","","","","1.005","","","","has coordinates,has disorder","283661","2023-05-10","22:45:00",""
"7713572","12.8275","0.0005","12.8275","0.0005","14.194","0.0007","90","","90","","90","","2335.55","0.17","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C14 H32 Br4 Mn N2 -","- C14 H32 Br4 Mn N2 -","- C56 H128 Br16 Mn4 N8 -","4","0.5","","Wu, Ling-Kun; Zou, Qing-Hua; Yao, Hai-Quan; Ye, Heng-Yun; Li, Jian-Rong","Zero-Dimensional Organic-Inorganic Hybrid Manganese Bromide with Coexistence of Dielectric−Thermal Double Switches and Efficient Photoluminescence","Dalton Transactions","2023","","","","","10.1039/D3DT01823G","","","0.71073","MoKα","","0.0416","0.0296","","","0.0611","0.0641","","","","","","1.062","","","","has coordinates,has disorder","285341","2023-07-25","22:55:21",""
"7715889","16.1163","0.0006","16.1163","0.0006","10.0685","0.0006","90","","90","","90","","2615.1","0.2","296.3","0.9","296.3","0.9","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C19 H68 B17 Mg N9 O28 -","- B17 Mg O28 -","- B34 Mg2 O56 -","2","0.25","","Volkov, Sergey; Yukhno, Valentina; Banaru, Alexander; Deyneko, Dina; Aksenov, Sergey; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Antonov, Andrey; Krzhizhanovskaya, Maria; Ugolkov, Valery; Firsova, Vera; Vaitieva, Yulia; Boldyrev, Kirill; Bubnova, Rimma","Magnesium cations as templates for the self-assembly of supramolecular luminescent {Mg@[B<sub>18</sub>φ<sub>34-35</sub>]}-clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8112","8117","10.1039/d3dt04048h","","x-ray","0.71073","MoKα","","0.0491","0.0336","","","0.076","0.0815","","","","","","0.9012","","","","has coordinates","293051","2024-07-05","16:17:18",""
"8102078","13.113","0.005","13.113","0.005","4.941","0.003","90","","90","","90","","849.6","0.7","298","2","298","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","4-oxo-3,5-dinitropyridine-N-hydroxide monohydrate","","- C5 H5 N3 O7 -","- C5 H5 N3 O7 -","- C20 H20 N12 O28 -","4","0.5","","Tang, F.-Y.; She, J.-B.; Li, J.-Z.; Zhang, G.-F.; Zahn, G.","Crystal structure of 4-oxo-3,5-dinitropyridine-N-hydroxide monohydrate, C~5~NH~2~(NO~2~)~2~O(OH) · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","539","540","","","","0.71073","MoKα","","0.102","0.0479","","","0.1092","0.1367","","","","","","1.033","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103583","7.8258","","7.8258","","5.0148","","90","","90","","90","","307.122","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Ca2 Co (Si2 O7)","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Riester, M.; Boehm, H.; Petricek, V.","The commensurately modulated structure of the lock-in phase of synthetic Co-akermanite, Ca2 Co Si2 O7","Zeitschrift fuer Kristallographie (149,1979-)","2000","215","","102","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103931","8.056","","8.056","","5.3332","","90","","90","","90","","346.12","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","(Sr La) Ga3 O7","","- Ga3 La O7 Sr -","- Ga3 La0.988 O7 Sr1.012 -","- Ga6 La1.976 O14 Sr2.024 -","2","0.25","","Steins, M.; Schmitz, W.; Doerschel, J.; Uecker, R.","Crystal structure of strontium lanthanum trigallium heptoxide, (Sr0.5 La0.5)2 Ga3 O7","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","76","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104753","8.6755","0.0003","8.6755","0.0003","11.1611","0.0004","90","","90","","90","","840.03","0.05","296","2","296","2","","","","","","","","3","P -4 21 m","P -4 2ab","113","2,4-dicyclohexyliminepentane","2,4-dicyclohexyliminepentane","","- C17 H30 N2 -","- C17 H30 N2 -","- C34 H60 N4 -","2","0.25","","Hosten, Eric C.; Betz, Richard","The crystal structure of N-(4-(cyclohexylimino)pent-2-en-2-yl)cyclohexanamine, C17H30N2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","515","517","10.1515/ncrs-2020-0579","","","0.71073","MoKα","","0.0531","0.0488","","","0.1367","0.1417","","","","","","1.073","","","","has coordinates","273690","2022-03-15","09:32:59",""
"8106278","6.6969","0.0009","6.6969","0.0009","4.4865","0.0009","90","","90","","90","","201.21","0.06","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","Indiumboratehydroxide","In1.2B3O5.6(OH)1.4","","- B3 H1.4 In1.2 O7 -","- B3 H1.4 In1.2 O7 -","- B6 H2.8 In2.4 O14 -","2","0.25","","Vitzthum, Daniela; Huppertz, Hubert","The crystal structure of In1.2B3O5.6(OH)1.4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","733","734","10.1515/ncrs-2018-0083","","","0.71073","MoKα","","0.0117","0.0117","","","0.0297","0.0297","","","","","","1.159","","","","has coordinates","279599","2022-11-28","10:04:09",""
"9000055","7.789","","7.789","","5.018","","90","","90","","90","","304.435","","","","","","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.4 Ca1.7 K0.1 Mg0.5 Na0.2 O7 Si2 -","- Al0.4 Ca1.7 K0.1 Mg0.5 Na0.2 O7 Si2 -","- Al0.8 Ca3.4 K0.2 Mg Na0.4 O14 Si4 -","2","0.25","","Smith, J. V.","Reexamination of the crystal structure of melilite","American Mineralogist","1953","38","","643","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9001284","7.95","","7.95","","5.186","","90","","90","","90","","327.768","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Melilite","- Ca2 Ge2 O7 Zn -","- Ca2 Ge2 O7 Zn -","- Ca4 Ge4 O14 Zn2 -","2","0.25","","Armbruster, T.; Rothlisberger, F.; Seifert, F.","Layer topology, stacking variation and site distortion in melilite-related compounds in the system CaO-ZnO-GeO2-SiO2 high-temperature polymorph Ca2ZnGe2O7","American Mineralogist","1990","75","","847","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001287","9.7553","","9.7553","","6.4877","","90","","90","","90","","617.408","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Al2 Cl K3 O10 Si3 -","- Al2 Cl K3 O10 Si3 -","- Al4 Cl2 K6 O20 Si6 -","2","0.25","","Ghose, S.; Yang, H.; Weidner, J. R.","Crystal growth and structure of K2Al2Si3O10*KCl: A new anhydrous zeolite-type phase with the edingtonite framework","American Mineralogist","1990","75","","947","950","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9002500","7.1248","","7.1248","","4.8177","","90","","90","","90","","244.56","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Okayamalite","- B2 Ca2 O7 Si -","- B2 Ca2 O7 Si -","- B4 Ca4 O14 Si2 -","2","0.25","","Giuli, G.; Bindi, L.; Bonazzi, P.","Rietveld refinement of okayamalite, Ca2SiB2O7: Structural evidence for the B/Si ordered distribution","American Mineralogist","2000","85","","1512","1515","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:58",""
"9002568","7.8","","7.8","","5","","90","","90","","90","","304.2","","","","","","","","","","","","","9","P -4 21 m","P -4 2ab","113","","","Hardystonite","- Al0.07 Ca1.86 Fe0.02 Mg0.03 Mn0.04 Na0.14 O7 Si2 Zn0.85 -","- Al0.07 Ca1.86 Fe0.02 Mg0.03 Mn0.04 Na0.14 O7 Si2 Zn0.85 -","- Al0.14 Ca3.72 Fe0.04 Mg0.06 Mn0.08 Na0.28 O14 Si4 Zn1.7 -","2","0.25","","Bindi, L.; Bonazzi, P.; Rothlisberger, F.","Hardystonite from Franklin Furnace: A natural modulated melilite","American Mineralogist","2001","86","","747","751","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9003439","9.5909","","9.5909","","6.5339","","90","","90","","90","","601.023","","","","","","","","100","","","P = 0.0001 GPa in air","","5","P -4 21 m","P -4 2ab","113","","","Edingtonite","- Al1.96 Ba0.94 H8 O13.54 Si3.04 -","- Al1.96 Ba0.94 H7.08 O13.54 Si3.04 -","- Al3.92 Ba1.88 H14.16 O27.08 Si6.08 -","2","0.25","","Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F.","Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 0.0001 GPa in air","American Mineralogist","2004","89","","633","639","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003440","9.5909","","9.5909","","6.5339","","90","","90","","90","","601.023","","","","","","","","100","","","P = 0.0001 GPa in diamond cell","","5","P -4 21 m","P -4 2ab","113","","","Edingtonite","- Al1.96 Ba0.91 H8 O13.32 Si3.04 -","- Al1.96 Ba0.91 H6.64 O13.32 Si3.04 -","- Al3.92 Ba1.82 H13.28 O26.64 Si6.08 -","2","0.25","","Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F.","Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 0.0001 GPa in diamond cell","American Mineralogist","2004","89","","633","639","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003441","9.4669","","9.4669","","6.4765","","90","","90","","90","","580.438","","","","","","","","2285000","","","","","5","P -4 21 m","P -4 2ab","113","","","Edingtonite","- Al1.96 Ba0.88 H8 O13.32 Si3.04 -","- Al1.96 Ba0.88 H6.64 O13.32 Si3.04 -","- Al3.92 Ba1.76 H13.28 O26.64 Si6.08 -","2","0.25","","Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F.","Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 2.285 GPa","American Mineralogist","2004","89","","633","639","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003442","9.3466","","9.3466","","6.42705","","90","","90","","90","","561.46","","","","","","","","4611000","","","","","5","P -4 21 m","P -4 2ab","113","","","Edingtonite","- Al1.96 Ba0.89 H7.68 O13.32 Si3.04 -","- Al1.96 Ba0.89 H6.64 O13.32 Si3.04 -","- Al3.92 Ba1.78 H13.28 O26.64 Si6.08 -","2","0.25","","Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F.","Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 4.611 GPa","American Mineralogist","2004","89","","633","639","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9004071","7.716","","7.716","","5.089","","90","","90","","90","","302.982","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Gehlenite","- Al0.729 Ca0.968 O5.265 Si0.488 -","- Al0.729 Ca0.968 O5.265 Si0.488 -","- Al1.458 Ca1.936 O10.53 Si0.976 -","2","0.25","","Louisnathan S J","Refinement of the crystal structure of a natural gehlenite, Ca2Al(Al,Si)2O7","The Canadian Mineralogist","1971","10","","822","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9005464","7.754","","7.754","","5.101","","90","","90","","90","","306.695","","","","","","","","","","","","nephelinite lava of Mt. Etinde, Cameroon","11","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.47 Ca0.84 Fe0.29 Mg0.19 Mn0.03 Na0.71 O7 Si1.99 Sr0.45 Ti0.01 Zn0.02 -","- Al0.47 Ca0.84 Fe0.29 Mg0.19 Mn0.03 Na0.71 O7 Si1.99 Sr0.45 Ti0.01 Zn0.02 -","- Al0.94 Ca1.68 Fe0.58 Mg0.38 Mn0.06 Na1.42 O14 Si3.98 Sr0.9 Ti0.02 Zn0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.; Fitton, J. G.","Crystal chemistry of strontian soda melilite from nephelinite lava of Mt. Etinde, Cameroon Sample: ET1","European Journal of Mineralogy","2001","13","","121","125","10.1127/0935-1221/01/0013-0121","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005465","7.764","","7.764","","5.095","","90","","90","","90","","307.125","","","","","","","","","","","","nephelinite lava of Mt. Etinde, Cameroon","11","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.46 Ca0.83 Fe0.29 Mg0.2 Mn0.03 Na0.72 O7 Si1.99 Sr0.45 Ti0.02 Zn0.01 -","- Al0.46 Ca0.83 Fe0.29 Mg0.2 Mn0.03 Na0.72 O7 Si1.99 Sr0.45 Ti0.02 Zn0.01 -","- Al0.92 Ca1.66 Fe0.58 Mg0.4 Mn0.06 Na1.44 O14 Si3.98 Sr0.9 Ti0.04 Zn0.02 -","2","0.25","","Bindi, L.; Bonazzi, P.; Fitton, J. G.","Crystal chemistry of strontian soda melilite from nephelinite lave of Mt. Etinde, Cameroon Sample: ET2","European Journal of Mineralogy","2001","13","","121","125","10.1127/0935-1221/01/0013-0121","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006112","7.685","","7.685","","5.0636","","90","","90","","90","","299.052","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Gehlenite","- Al2.06 Ca2 O7 Si0.95 -","- Al2.06 Ca2 O7 Si0.95 -","- Al4.12 Ca4 O14 Si1.9 -","2","0.25","","Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A.","Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: O% Ak","Physics and Chemistry of Minerals","1992","19","","185","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006113","7.7115","","7.7115","","5.0498","","90","","90","","90","","300.298","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","Gehlenite","- Al1.54 Ca2 Mg0.21 O7 Si1.24 -","- Al1.54 Ca2 Mg0.21 O7 Si1.24 -","- Al3.08 Ca4 Mg0.42 O14 Si2.48 -","2","0.25","","Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A.","Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: 25% Ak","Physics and Chemistry of Minerals","1992","19","","185","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006114","7.7475","","7.7475","","5.0359","","90","","90","","90","","302.274","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","Akermanite","- Al0.99 Ca2 Mg0.46 O7 Si1.52 -","- Al0.99 Ca2 Mg0.46 O7 Si1.52 -","- Al1.98 Ca4 Mg0.92 O14 Si3.04 -","2","0.25","","Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A.","Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: 50% Ak","Physics and Chemistry of Minerals","1992","19","","185","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006115","7.7853","","7.7853","","5.0211","","90","","90","","90","","304.333","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","Akermanite","- Al0.51 Ca2 Mg0.71 O7 Si1.74 -","- Al0.51 Ca2 Mg0.71 O7 Si1.74 -","- Al1.02 Ca4 Mg1.42 O14 Si3.48 -","2","0.25","","Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A.","Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: 75% Ak","Physics and Chemistry of Minerals","1992","19","","185","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006116","7.8288","","7.8288","","5.0052","","90","","90","","90","","306.769","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg0.96 O7 Si2 -","- Ca2 Mg0.96 O7 Si2 -","- Ca4 Mg1.92 O14 Si4 -","2","0.25","","Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A.","Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: 100% Ak","Physics and Chemistry of Minerals","1992","19","","185","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006448","7.8338","","7.8338","","5.0082","","90","","90","","90","","307.345","","","","","","","","0","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 0.0 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006449","7.8154","","7.8154","","4.9919","","90","","90","","90","","304.908","","","","","","","","800000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 0.80 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006450","7.8071","","7.8071","","4.9821","","90","","90","","90","","303.663","","","","","","","","1250000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 1.25 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006451","7.8046","","7.8046","","4.9772","","90","","90","","90","","303.17","","","","","","","","1370000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 1.37 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006452","7.7937","","7.7937","","4.9696","","90","","90","","90","","301.862","","","","","","","","1800000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 1.80 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006453","7.7677","","7.7677","","4.9495","","90","","90","","90","","298.639","","","","","","","","2780000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 2.78 GPa Note: O2-z changed to match reported bond lengths","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006454","7.7494","","7.7494","","4.9328","","90","","90","","90","","296.23","","","","","","","","3790000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 3.79 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006926","7.8444","","7.8444","","5.0265","","90","","90","","90","","309.304","","","","297","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 297 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006927","7.8507","","7.8507","","5.0281","","90","","90","","90","","309.899","","","","393","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 393 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006928","7.8563","","7.8563","","5.0294","","90","","90","","90","","310.422","","","","468","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 468 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006929","7.859","","7.859","","5.026","","90","","90","","90","","310.425","","","","493","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 493 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006930","7.8591","","7.8591","","5.0258","","90","","90","","90","","310.421","","","","503","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 503 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006931","7.8615","","7.8615","","5.0268","","90","","90","","90","","310.672","","","","533","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 533 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006932","7.8656","","7.8656","","5.0289","","90","","90","","90","","311.126","","","","573","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 573 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006933","7.8732","","7.8732","","5.0336","","90","","90","","90","","312.019","","","","673","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 673 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006934","7.8815","","7.8815","","5.0387","","90","","90","","90","","312.994","","","","773","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 773 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006935","7.8348","","7.8348","","5.0087","","90","","90","","90","","307.454","","","","297","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 297 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006936","7.8387","","7.8387","","5.0079","","90","","90","","90","","307.712","","","","348","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 348 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006937","7.8387","","7.8387","","5.0072","","90","","90","","90","","307.668","","","","359.4","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 359.4 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006938","7.8398","","7.8398","","5.0058","","90","","90","","90","","307.669","","","","359.7","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 359.7 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006939","7.8436","","7.8436","","5.007","","90","","90","","90","","308.041","","","","413","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 413 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006940","7.847","","7.847","","5.0097","","90","","90","","90","","308.474","","","","463","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 463 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006941","7.8509","","7.8509","","5.0127","","90","","90","","90","","308.966","","","","513","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 513 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006942","7.8679","","7.8679","","5.0144","","90","","90","","90","","310.411","","","","297","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 297 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006943","7.8743","","7.8743","","5.0155","","90","","90","","90","","310.984","","","","383","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 383 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006944","7.8776","","7.8776","","5.0153","","90","","90","","90","","311.232","","","","423","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 423 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006945","7.8868","","7.8868","","5.0171","","90","","90","","90","","312.072","","","","503","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 503 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006946","7.8855","","7.8855","","5.017","","90","","90","","90","","311.963","","","","523","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 523 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006947","7.8859","","7.8859","","5.0179","","90","","90","","90","","312.05","","","","543","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 543 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006948","7.8875","","7.8875","","5.0191","","90","","90","","90","","312.252","","","","573","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 573 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006949","7.8958","","7.8958","","5.0223","","90","","90","","90","","313.109","","","","673","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 673 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006950","7.8989","","7.8989","","5.0237","","90","","90","","90","","313.442","","","","773","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 773 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007360","7.826","","7.826","","5.004","","90","","90","","90","","306.476","","","","298","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 298 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007361","7.83","","7.83","","5.002","","90","","90","","90","","306.667","","","","348","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 348 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007362","7.832","","7.832","","5.003","","90","","90","","90","","306.885","","","","359","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 359 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007363","7.833","","7.833","","5.004","","90","","90","","90","","307.025","","","","373","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 373 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007364","7.838","","7.838","","5.006","","90","","90","","90","","307.54","","","","413","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 413 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007365","7.845","","7.845","","5.011","","90","","90","","90","","308.397","","","","463","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 463 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007366","7.852","","7.852","","5.019","","90","","90","","90","","309.441","","","","513","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 513 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007367","7.857","","7.857","","5.022","","90","","90","","90","","310.02","","","","573","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 573 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007368","7.868","","7.868","","5.027","","90","","90","","90","","311.199","","","","673","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 673 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007369","7.879","","7.879","","5.032","","90","","90","","90","","312.38","","","","773","","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 -","- Al0.18 Ca3.74 K0.04 Mg1.92 Na0.2 O14 Si3.96 Sr0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.","Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 773 K Note: xO1 and yO1 corrected by authors","Physics and Chemistry of Minerals","2005","32","","89","96","10.1007/s00269-004-0439-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9008187","7.8279","","7.8279","","5.0138","","90","","90","","90","","307.226","","","","","","","","","","","","Franklin, New Jersey, USA","4","P -4 21 m","P -4 2ab","113","","","Hardystonite","- Ca2 O7 Si2 Zn -","- Ca2 O7 Si2 Zn -","- Ca4 O14 Si4 Zn2 -","2","0.25","","Louisnathan, S. J.","Refinement of the crystal structure of hardystonite, Ca2ZnSi2O7","Zeitschrift fur Kristallographie","1969","130","","427","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008195","7.6344","","7.6344","","5.0513","","90","","90","","90","","294.41","","","","","","","","","","","","Synthetic","5","P -4 21 m","P -4 2ab","113","","","Melilite","- Al Ca Na O7 Si2 -","- Al Ca Na O7 Si2 -","- Al2 Ca2 Na2 O14 Si4 -","2","0.25","","Louisnathan, S. J.","The crystal structure of synthetic soda melilite, CaNaAlSi2O7","Zeitschrift fur Kristallographie","1970","131","","314","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009316","9.581","","9.581","","6.526","","90","","90","","90","","599.058","","","","","","","","","","","","Ice River, British Columbia, Canada","6","P -4 21 m","P -4 2ab","113","","","Edingtonite","- Al1.95 Ba0.928 H7.404 K0.048 O13.702 Si3.065 -","- Al1.95 Ba0.928 H7.404 K0.048 O13.702 Si3.065 -","- Al3.9 Ba1.856 H14.808 K0.096 O27.404 Si6.13 -","2","0.25","","Mazzi, F.; Galli, E.; Gottardi, G.","Crystal structure refinement of two tetragonal edingtonites","Neues Jahrbuch fur Mineralogie, Monatshefte","1984","1984","","373","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9009317","9.584","","9.584","","6.524","","90","","90","","90","","599.249","","","","","","","","","","","","Old Kilpatrick, Dumbartonshire, Scotland","7","P -4 21 m","P -4 2ab","113","","","Edingtonite","- Al1.94 Ba0.879 H7.5 K0.025 Na0.03 O13.75 Si3.06 -","- Al1.94 Ba0.879 H7.5 K0.025 Na0.03 O13.75 Si3.06 -","- Al3.88 Ba1.758 H15 K0.05 Na0.06 O27.5 Si6.12 -","2","0.25","","Mazzi, F.; Galli, E.; Gottardi, G.","Crystal structure refinement of two tetragonal edingtonites","Neues Jahrbuch fur Mineralogie, Monatshefte","1984","1984","","373","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9009412","7.433","","7.433","","4.997","","90","","90","","90","","276.082","","","","","","","","","","","","skarn rocks in the Gugia alkaline complex, Liaoning Province, China","4","P -4 21 m","P -4 2ab","113","","","Gugiaite","- Be Ca2 O7 Si2 -","- Be Ca2 O7 Si2 -","- Be2 Ca4 O14 Si4 -","2","0.25","","Yang, Z.; Fleck, M.; Pertlik, F.; Tillmanns, E.; Tao, K.","The crystal structure of natural gugiaite, Ca2BeSi2O7 Locality: skarn rocks in the Gugia alkaline complex, Liaoning Province, China Note, z coordinate of Ca is altered to reproduce reported Ca-O bond lengths","Neues Jahrbuch fur Mineralogie, Monatshefte","2001","2001","","186","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009730","7.8679","","7.8679","","5.0144","","90","","90","","90","","310.411","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Fe0.446 Mg0.554 O7 Si2 -","- Ca2 Fe0.446 Mg0.554 O7 Si2 -","- Ca4 Fe0.892 Mg1.108 O14 Si4 -","2","0.25","","Kusaka, K.; Ohmasa, M.; Hagiya, K.; Iishi, K.; Haga, N.","On variety of the Ca coordination in the incommensurate structure of synthetic iron-bearing akermanite, Ca2(Mg0.55,Fe0.45)Si2O7 Note: Sample is synthetic, this is the structure obtained from a standard refinement","Mineralogical Journal","1998","20","","47","58","10.2465/minerj.20.47","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009856","6.4024","","6.4024","","4.2786","","90","","90","","90","","175.383","","","","","","","","","","","","Beaverlodge Region, Saskatchewan, Canada","2","P -4 21 m","P -4 2ab","113","","","Umangite","- Cu3 Se2 -","- Cu3 Se2 -","- Cu6 Se4 -","2","0.25","","Heyding, R. D.; Murray, R. M.","Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma=CuSe, CuSe2, and CuSe2II Locality: Beaverlodge Region, Saskatchewan, Canada","Canadian Journal of Chemistry","1976","54","","841","848","10.1139/v76-122","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010520","7.716","","7.716","","5.089","","90","","90","","90","","302.982","","","","","","","","","","","","Crestmore, California, USA","6","P -4 21 m","P -4 2ab","113","","","Gehlenite","- Al1.91 Ca2 Fe0.02 Mg0.05 O7 Si1.02 -","- Al1.91 Ca2 Fe0.02 Mg0.05 O7 Si1.02 -","- Al3.82 Ca4 Fe0.04 Mg0.1 O14 Si2.04 -","2","0.25","","Louisnathan, S. J.","Refinement of the crystal structure of a natural gehlenite, Ca2Al(Al,Si)2O7","The Canadian Mineralogist","1971","10","","822","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9013636","7.74","","7.74","","4.932","","90","","90","","90","","295.464","","","","","","","","5000000","","","","Synthetic","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Merlini, M.; Gemmi, M.; Hanfland, M.; Crichton, W.","High-pressure behavior of akermanite and gehlenite and phase stability of the normal structures in melelites Note: P = 5 GPa","American Mineralogist","2009","94","","704","709","10.2138/am.2009.3072","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013637","7.57","","7.57","","4.781","","90","","90","","90","","273.975","","","","","","","","15000000","","","","Synthetic","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Merlini, M.; Gemmi, M.; Hanfland, M.; Crichton, W.","High-pressure behavior of akermanite and gehlenite and phase stability of the normal structures in melelites Note: P = 15 GPa","American Mineralogist","2009","94","","704","709","10.2138/am.2009.3072","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9014399","8.284","","8.284","","5.313","","90","","90","","90","","364.603","","","","","","","","","","","","Synthetic","4","P -4 21 m","P -4 2ab","113","","","","- Ba2 Cu O7 Si2 -","- Ba2 Cu O7 Si2 -","- Ba4 Cu2 O14 Si4 -","2","0.25","","Du, J. M.; Zeng, H. Y.; Song, L. J.; Dong, Z. C.; Ma, H. W.; Guo, G. C.; Huang, J. S.","Synthesis and structure of a new polymorph Ba2CuSi2O7 Note: known as beta-Ba2CuSi2O7","Jiegou Huaxue","2003","22","","33","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014854","7.738","","7.738","","5.045","","90","","90","","90","","302.078","","","","","","","","","","","","Capo di Bove, Italy","7","P -4 21 m","P -4 2ab","113","","","Akermanite","- Al0.66 Ca1.96 Fe0.12 Mg0.24 Na0.04 O7 Si1.3 -","- Al0.66 Ca1.96 Fe0.12 Mg0.24 Na0.04 O7 Si1.3 -","- Al1.32 Ca3.92 Fe0.24 Mg0.48 Na0.08 O14 Si2.6 -","2","0.25","","Mokeeva, V.; Makarov, E.","Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite","Geokhimiya","1979","10","","1541","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015368","7.76","","7.76","","5.029","","90","","90","","90","","302.834","","","","","","","","","","","","Capo di Bove, Italy","7","P -4 21 m","P -4 2ab","113","","","Akermanite","- Al0.41 Ca1.5 Fe0.16 Mg0.39 Na0.5 O7 Si2 -","- Al0.41 Ca1.5 Fe0.16 Mg0.39 Na0.5 O7 Si2 -","- Al0.82 Ca3 Fe0.32 Mg0.78 Na O14 Si4 -","2","0.25","","Mokeeva, V.; Makarov, E.","Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite","Geokhimiya","1979","10","","1541","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9017316","5.584","","5.584","","4.689","","90","","90","","90","","146.208","","","","123","","","","","","","","Synthetic","4","P -4 21 m","P -4 2ab","113","","","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Swaminathan, S.; Craven, B. M.","The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 123 K","Acta Crystallographica, Section B","1984","40","","300","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017317","5.57","","5.57","","4.688","","90","","90","","90","","145.445","","","","60","","","","","","","","Synthetic","4","P -4 21 m","P -4 2ab","113","","","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Swaminathan, S.; Craven, B. M.","The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 60 K","Acta Crystallographica, Section B","1984","40","","300","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017318","5.565","","5.565","","4.684","","90","","90","","90","","145.06","","","","12","","","","","","","","Synthetic","4","P -4 21 m","P -4 2ab","113","","","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Swaminathan, S.; Craven, B. M.","The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 12 K","Acta Crystallographica, Section B","1984","40","","300","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017542","7.7661","","7.7661","","5.0297","","90","","90","","90","","303.353","","","","","","","","","","","","Oldoinyo Lengai, northern Tanzania","7","P -4 21 m","P -4 2ab","113","","","Alumoakermanite","- Al0.5 Ca1.52 Fe0.3 Mg0.2 Na0.48 O7 Si2 -","- Al0.5 Ca1.52 Fe0.3 Mg0.2 Na0.48 O7 Si2 -","- Al Ca3.04 Fe0.6 Mg0.4 Na0.96 O14 Si4 -","2","0.25","","Wiedenmann, D.; Zaitsev, A. N.; Britvin, S. N.; Krivovichev, S. V.; Keller, J.","Alumoakermanite, (Ca,Na)2(Al,Mg,Fe2+)(Si2O7), a new mineral from the active carbonatite-nephelinite-phonolite volcano Oldoinyo Lengai, northern Tanzania","Mineralogical Magazine","2009","73","","373","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""