# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T14:16:50+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 4 m 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
"1001594","3.8432","0.0001","3.8432","0.0001","27.422","0.001","90","","90","","90","","405","","","","","","","","","","","","","6","I 4 m m","I 4 -2","107","","Lead barium strontium yttrium copper oxide (0.99/0.93/1.1/1/3.01/7)","","- Ba0.93 Cu3.01 O7 Pb0.99 Sr1.07 Y -","- Ba0.93 Cu3.01 O7 Pb0.99 Sr1.07 Y -","- Ba1.86 Cu6.02 O14 Pb1.98 Sr2.14 Y2 -","2","0.125","","Rouillon, T; Caignaert, V; Hervieu, M; Michel, C; Groult, D; Raveau, B","PbBaSrYCu~3~O~7~: a ""0223"" structure, intergrowth of single rock salt layers and triple oxygen-deficient perovskite layers; X-ray, neutron diffraction, and electron microscopy study","Journal of Solid State Chemistry","1992","97","","56","64","10.1016/0022-4596(92)90009-K","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001595","3.8436","0.0001","3.8436","0.0001","27.42599","0.001","90","","90","","90","","405.2","","","","","","","","","","","","","6","I 4 m m","I 4 -2","107","","Lead barium strontium yttrium copper oxide (1/1/1/1/3/7.01)","","- Ba Cu3 O7.01 Pb Sr Y -","- Ba Cu3 O7.01 Pb Sr Y -","- Ba2 Cu6 O14.02 Pb2 Sr2 Y2 -","2","0.125","","Rouillon, T; Caignaert, V; Hervieu, M; Michel, C; Groult, D; Raveau, B","PbBaSrYCu~3~O~7~: a ""0223"" structure, intergrowth of single rock salt layers and triple oxygen-deficient perovskite layers; X-ray, neutron diffraction, and electron microscopy study","Journal of Solid State Chemistry","1992","97","","56","64","10.1016/0022-4596(92)90009-K","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004095","16.563","0.007","16.563","0.007","18.563","0.006","90","","90","","90","","5092.4","","","","","","","","","","","","","5","I 4 m m","I 4 -2","107","","Potassium hexabromoindate sesquihydrate","","- Br6 H3 In K3 O1.5 -","- Br6 H3 In K3 O1.5 -","- Br84 H42 In14 K42 O21 -","14","0.875","","Lornaux-Rubbens, A; Wignacourt, J P; Drache, M; Wallart, F","Investigations structurales des composes K~3-x~(InX~6- x~(H~2~O)~x~,nH~2~O). I. Etude cristallographique (X=Br); comparaison des distances indium-ligand (X=Cl,Br)","Journal de Chimie Physique et de Physico-Chimie Biologique","1991","88","","2041","2055","","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004098","15.723","0.009","15.723","0.009","18.069","0.018","90","","90","","90","","4466.9","","","","","","","","","","","","","5","I 4 m m","I 4 -2","107","","Potassium hexachloroindate hydrate","","- Cl6 H2 In K3 O -","- Cl6 H2 In K3 O -","- Cl84 H28 In14 K42 O14 -","14","0.875","","Wignacourt, J - P; Nowogrocki, G; Mairesse, G; Barbier, P","Evidence for ionic isomerism in complex salts. X-ray evidence in K~3~InCl~6~.H~2~O","Reviews in Inorganic Chemistry","1980","2","","207","217","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510523","4.109","","4.109","","16.552","","90","","90","","90","","279.462","","","","","","","","","","","","","2","I 4 m m","I 4 -2","107","","Au3 (Au0.04 Cd0.96)","","- Au3.04 Cd0.96 -","- Au3.04 Cd0.96 -","- Au12.16 Cd3.84 -","4","0.25","","Hirabayashi, M.; Iwasaki, H.; Ogawa, S.","Lattice modulation in the ordered alloys with long period studied by X-ray diffraction. I. Au3 Cd","Journal of the Physical Society of Japan","1965","20","","89","97","10.1143/JPSJ.20.89","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521963","3.917","","3.917","","15.354","","90","","90","","90","","235.575","","","","","","","","","","","","","4","I 4 m m","I 4 -2","107","","Bi2 (V0.6 Ge0.4) O5.3","","- Bi2 Ge0.4 O5.3 V0.6 -","- Bi2 Ge0.4 O5.3 V0.6 -","- Bi4 Ge0.8 O10.6 V1.2 -","2","0.125","","Sooryanarayana, K.; Guru Row, T.N.; Varma, K.B.R.","Structural phase transitions in Bi2 V1-x Gex Co5.5-x/2 (x = 0.2, 0.4 and 0.6) single crystals: X-ray crystallographic study","Materials Research Bulletin","1999","34","","425","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","142180","2020-10-21","18:00:00",""
"1522455","12.237","","12.237","","8.083","","90","","90","","90","","1210.38","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","(Ga1.8 Ni1.2) Hf","","- Ga1.8 Hf Ni1.2 -","- Ga1.8 Hf Ni1.2 -","- Ga36 Hf20 Ni24 -","20","1.25","","Markiv, V.Ya.; Belyavina, N.N.; Zavodnik, V.E.","Superconductivity in ternary Heusler intermetallic compounds","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1988","1988","","51","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523462","4.74","","4.74","","10.88","","90","","90","","90","","244.447","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Ni Sn3 Sr -","- Ni Sn3 Sr -","- Ni2 Sn6 Sr2 -","2","0.125","","Doerrscheidt, W.; Schaefer, H.","Die Struktur des Ba Pt Sn3, Ba Ni Sn3 und Sr Ni Sn3 und ihre Verwandschaft zum Th Cr2 Si2-Strukturtyp","Journal of the Less-Common Metals","1978","58","","209","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523463","4.79","","4.79","","11.23","","90","","90","","90","","257.662","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Pd Sn3 Sr -","- Pd Sn3 Sr -","- Pd2 Sn6 Sr2 -","2","0.125","","Doerrscheidt, W.; Schaefer, H.","Darstellung und Kristallstruktur von Ba Pd Sn3, Sr Pd Sn3 und La3 Co2 Sn7","Journal of the Less-Common Metals","1980","70","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527922","4.3192","","4.3192","","9.8298","","90","","90","","90","","183.38","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Ce Co Ge3 -","- Ce Co Ge3 -","- Ce2 Co2 Ge6 -","2","0.125","","Pecharskii, V.K.; Hyun, O.B.; Gschneidner, K.A.jr.","Unusual magnetic properties of the heavy-fermion compound Ce Co Ge3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","47","","11839","11847","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527923","4.3497","","4.3497","","9.8679","","90","","90","","90","","186.7","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Co Ge3 La -","- Co Ge3 La -","- Co2 Ge6 La2 -","2","0.125","","Pecharskii, V.K.; Hyun, O.B.; Gschneidner, K.A.jr.","Unusual magnetic properties of the heavy-fermion compound Ce Co Ge3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","47","","11839","11847","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528079","4.431","","4.431","","25.073","","90","","90","","90","","492.277","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu4 Sm2 Sn5 -","- Cu4 Sm2 Sn5 -","- Cu8 Sm4 Sn10 -","2","0.125","","Skolozdra, R.V.; Komarovskaya, L.P.; Terletskaya, E.E.; Aksel'rud, L.G.","Crystal structure of Sm2 Cu4 Sn5","Kristallografiya","1991","36","","492","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528145","7.707","","7.707","","5.545","","90","","90","","90","","329.361","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","Na6 Pb O5","","- Na6 O5 Pb -","- Na6 O5 Pb -","- Na12 O10 Pb2 -","2","0.125","","Troemel, M.; Hauck, J.","Zur Kristallstruktur von Na6 Pb O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","368","","160","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528443","3.544","","3.544","","5.581","","90","","90","","90","","70.097","","","","","","","","","","","","","2","I 4 m m","I 4 -2","107","","","","- Ge P -","- Ge P -","- Ge2 P2 -","2","0.125","","Donohue, P.C.; Young, H.S.","Synthesis, structure, and superconductivity of new high pressure phases in the systems ge - p and ge - as","Journal of Solid State Chemistry","1970","1","","143","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528444","3.715","","3.715","","5.832","","90","","90","","90","","80.489","","","","","","","","","","","","","2","I 4 m m","I 4 -2","107","","Ge As","","- As Ge -","- As Ge -","- As2 Ge2 -","2","0.125","","Donohue, P.C.; Young, H.S.","Synthesis, structure, and superconductivity of new high pressure phases in the systems ge - p and ge - as","Journal of Solid State Chemistry","1970","1","","143","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529434","6.1676","0.0001","6.1676","0.0001","8.7999","0.0002","90","","90","","90","","334.742","0.011","","","","","","","","","","","","4","I 4 m m","I 4 -2","107","","","","- F3 K3 O3 W -","- F3 K3 O3 W -","- F6 K6 O6 W2 -","2","0.125","","M.S. Molokeev; S.V. Misyul; V.D. Fokina; A.G. Kocharova; K.S. Aleksandrov","Structure transformations during phase transitions in the K3WO3F3 oxyfluoride","Physics of the Solid State","2011","53","4","834","839","10.1134/S1063783411040251","","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1530171","9.15","","9.15","","6.222","","90","","90","","90","","520.921","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","Na5 Co2 S5","","- Co2 Na5 S5 -","- Co2 Na5 S5 -","- Co4 Na10 S10 -","2","0.125","","Klepp, K.O.; Bronger, W.","Darstellung und Kristallstruktur von Na5 Co2 S5","Journal of the Less-Common Metals","1984","98","","165","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","155159","2020-10-21","18:00:00",""
"1530186","15.659","","15.659","","18.106","","90","","90","","90","","4439.67","","","","","","","","","","","","","5","I 4 m m","I 4 -2","107","","K3 In Cl6 (H2 O)1.57","","- Cl6 H3.14 In K3 O1.57 -","- Cl6 In K3 O1.57143 -","- Cl84 In14 K42 O22 -","14","0.875","","Knop, O.; Cameron, T.S.; Adhikesavalu, D.; Jenkins, J.A.; Vincent, B.R.","Crystal chemistry of complex indium(III) and other M(III) halides, with a discussion of M-Cl bond lengths in complex M(III) chlorides and of the structures of and hydrogen bonding in (N H4)2 (In Cl5 (H2 O)) Etc.","Canadian Journal of Chemistry","1987","65","","1527","1556","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530349","3.7046","","3.7046","","12.5301","","90","","90","","90","","171.964","","","","","","","","","","","","","4","I 4 m m","I 4 -2","107","","Nd2 Al O3 N","","- Al N Nd2 O3 -","- Al N Nd2 O3 -","- Al2 N2 Nd4 O6 -","2","0.125","","Marchand, R.; Roult, G.; Pastuszak, R.; Laurent, Y.","Structure cristalline de Nd2 Al O3 N. Determination de l'ordre oxygene-azote par diffraction de neutrons","Revue de Chimie Minerale","1982","19","","684","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531694","3.86387","","3.86387","","27.9799","","90","","90","","90","","417.726","","","","","","","","","","","","","6","I 4 m m","I 4 -2","107","","Pb Ba2 (Y0.8 Ca0.2) Cu3 O7","","- Ba2 Ca0.2 Cu3 O7 Pb Y0.8 -","- Ba2 Ca0.2 Cu3 O7 Pb Y0.8 -","- Ba4 Ca0.4 Cu6 O14 Pb2 Y1.6 -","2","0.125","","Kirbyshire, A. L.; Greaves, C.","PbBa~2~Y~1-x~Ca~x~Cu~3~O~7+δ~: synthesis, structure and superconductivity","Superconductor Science and Technology","2002","15","7","1048","1053","10.1088/0953-2048/15/7/310","","","","","","","","","","","","","","","","","","","","","has coordinates","206904","2020-10-21","18:00:00",""
"1531697","3.86744","","3.86744","","28.2555","","90","","90","","90","","422.62","","","","","","","","","","","","","6","I 4 m m","I 4 -2","107","","Pb Ba2 (Y0.8 Ca0.2) Cu3 O8.12","","- Ba2 Ca0.2 Cu3 O8.12 Pb Y0.8 -","- Ba2 Ca0.2 Cu3 O8.12 Pb Y0.8 -","- Ba4 Ca0.4 Cu6 O16.24 Pb2 Y1.6 -","2","0.125","","Kirbyshire, A. L.; Greaves, C.","PbBa~2~Y~1-x~Ca~x~Cu~3~O~7+δ~: synthesis, structure and superconductivity","Superconductor Science and Technology","2002","15","7","1048","1053","10.1088/0953-2048/15/7/310","","","","","","","","","","","","","","","","","","","","","has coordinates","206904","2020-10-21","18:00:00",""
"1531796","3.8187","","3.8187","","12.3477","","90","","90","","90","","180.06","","","","","","","","","","","","","4","I 4 m m","I 4 -2","107","","La Ca Ga O4","","- Ca Ga La O4 -","- Ca Ga La O4 -","- Ca2 Ga2 La2 O8 -","2","0.125","","Li, Z.-F.; Li, G.-B.; Liao, F.-H.; Lin, J.-H.","On the synthesis and structure of La Ca Ga O4","Journal of Solid State Chemistry","2003","172","","59","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534501","4.278","","4.278","","9.83","","90","","90","","90","","179.902","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","La Ir Si3","","- Ir La Si3 -","- Ir La Si3 -","- Ir2 La2 Si6 -","2","0.125","","Lejay, P.; Higashi, I.; Chevalier, B.; Etourneau, J.; Hagenmuller, P.","Crystal structure of new superconducting materials La Ir Si3 and La Rh Si3. Structural relation between La Rh2 Si2, La2 Rh3 Si5 and La Rh Si3","Materials Research Bulletin","1984","19","","115","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534688","7.426","","7.426","","11.113","","90","","90","","90","","612.832","","","","","","","","","","","","","5","I 4 m m","I 4 -2","107","","(Cr (N C O) (N H3)5) (N O3)2","","- C H15 Cr N8 O7 -","- C H15 Cr N8 O7 -","- C2 H30 Cr2 N16 O14 -","2","0.125","","Schoenherr, T.; Wiskemann, R.; Mootz, D.","Crystal structure and ligand field states of (Cr (N H3)5 (N C O)) (N O3)2","Inorganica Chimica Acta","1994","221","","93","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1535642","43.4648","","43.4648","","69.393","","90","","90","","90","","131096","","","","","","","","","","","","","5","I 4 m m","I 4 -2","107","","Na (Mo368 O1032 (S O4)48 (H2 O)240) (H2 O)465","","- H1410 Mo368 Na O1929 S48 -","- Mo368 Na O1929 S48.08 -","- Mo736 Na2 O3858 S96.16 -","2","0.125","","Mueller, A.; Beckmann, E.; Boegge, H.; Schmidtmann, M.; Dress, A.","Inorganic Chemistry Goes Protein Size: A Mo368 Nano-Hedgehog Initiating Nanochemistry by Symmetry Breaking","Angew. Chem. Int. ed.","2002","41","","1162","1167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536106","7.582","","7.582","","10.331","","90","","90","","90","","593.895","","","","","","","","","","","","","4","I 4 m m","I 4 -2","107","","(Co (N H3)5 N O2) (N O3)2 (H2 O)0.25","","- Co H15.5 N8 O8.25 -","- Co H15.5 N8 O8.25 -","- Co2 H31 N16 O16.5 -","2","0.125","","Virovets, A.V.; Podberezskaya, N.V.; Burleva, L.P.; Boldyreva, E.V.; Dulepov, V.E.","The comparative investigation of crystal structures in (M(NH3)5NO2)XY and (M(NH3)5ONO)XY series. Crystal structure of (Co(NH3)5NO2)(NO3)2*0.25H2O","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1994","35","","100","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536412","7.372","","7.372","","8.475","","90","","90","","90","","460.586","","","","","","","","","","","","","5","I 4 m m","I 4 -2","107","","(Os (N O) (N H3)4 Cl) Cl2","","- Cl3 H12 N5 O Os -","- Cl3 H12 N5 O Os -","- Cl6 H24 N10 O2 Os2 -","2","0.125","","Kanishcheva, A.S.; Mikhailov, Yu.N.; Svetlov, A.A.","Crystal structures of nitrosotetraamminocomplex of osmium","Zhurnal Neorganicheskoi Khimii","1990","35","","1760","1766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536414","7.423","","7.423","","8.565","","90","","90","","90","","471.939","","","","","","","","","","","","","6","I 4 m m","I 4 -2","107","","(Os N O (N H3)4 Br) Cl2","","- Br Cl2 H12 N5 O Os -","- Br Cl2 H12 N5 O Os -","- Br2 Cl4 H24 N10 O2 Os2 -","2","0.125","","Kanishcheva, A.S.; Mikhailov, Yu.N.; Svetlov, A.A.","Crystal structures of nitrosotetraamminocomplex of osmium","Zhurnal Neorganicheskoi Khimii","1990","35","","1760","1766","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1536416","7.625","","7.625","","8.718","","90","","90","","90","","506.87","","","","","","","","","","","","","5","I 4 m m","I 4 -2","107","","(Os N O (N H3)4 Br) Br2","","- Br3 H12 N5 O Os -","- Br3 H12 N5 O Os -","- Br6 H24 N10 O2 Os2 -","2","0.125","","Kanishcheva, A.S.; Mikhailov, Yu.N.; Svetlov, A.A.","Crystal structures of nitrosotetramminocomplex of osmium","Zhurnal Neorganicheskoi Khimii","1990","35","","1760","1766","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1536418","7.53","","7.53","","8.759","","90","","90","","90","","496.643","","","","","","","","","","","","","6","I 4 m m","I 4 -2","107","","(Os N O (N H3)4 I) Cl2","","- Cl2 H12 I N5 O Os -","- Cl2 H12 I N5 O Os -","- Cl4 H24 I2 N10 O2 Os2 -","2","0.125","","Kanishcheva, A.S.; Mikhailov, Yu.N.; Svetlov, A.A.","Crystal structures of nitrosotetramminocomplex of osmium","Zhurnal Neorganicheskoi Khimii","1990","35","","1760","1766","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1536522","4.12","","4.12","","10.475","","90","","90","","90","","177.807","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Li Pd Si3 -","- Li Pd Si3 -","- Li2 Pd2 Si6 -","2","0.125","","Kevorkov, D.G.; Stepen'-Damm, Yu.; Bodak, O.I.; Pavlyuk, V.V.","Crystal structure of Li Pd Si3","Kristallografiya","1995","40","","177","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537141","7.16","","7.16","","10.13","","90","","90","","90","","519.321","","","","","","","","","","","","","6","I 4 m m","I 4 -2","107","","(Co (N C S) (N H3)5) Cl2","","- C H15 Cl2 Co N6 S -","- C H15 Cl2 Co N6 S -","- C2 H30 Cl4 Co2 N12 S2 -","2","0.125","","Kushi, Y.; Kuroya, H.; Komiyama, Y.","Crystal structure of isothiocyanato-pentaammine-cobalt(III) chloride","Nippon Kagaku Kaishi (= J.Chem.Soc.Japan) (1947-)","1967","88","","1151","1153","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1542191","4.282","","4.282","","9.838","","90","","90","","90","","180.385","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","La Ir Si3","","- Ir La Si3 -","- Ir La Si3 -","- Ir2 La2 Si6 -","2","0.125","","Engel, N.; Braun, H.F.; Parthe, E.","La Ir Si3 with the Ba Ni Sn3-type structure: the third ordered ternary Ba Al4-type derivative in the La-Ir-Si system","Journal of the Less-Common Metals","1983","95","","309","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1545645","3.8981","0.0001","3.8981","0.0001","25.7131","0.0009","90","","90","","90","","390.72","0.02","","","298","","","","","","","","","5","I 4 m m","I 4 -2","107","","","","- H3.2 La Na Nb2 O8.6 -","- La0.913 Na1.26 Nb2 O8.6 -","- La1.826 Na2.52 Nb4 O17.2 -","2","0.125","","Sato, M.; Abo, J.; Jin, T.","Structure examination of NaLaNb2O7 synthesized by soft chemistry","Solid State Ionics","1992","57","","285","293","10.1016/0167-2738(92)90160-Q","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.0176","0.0315","","","","","","","","has coordinates","194478","2020-10-21","18:00:00",""
"1568147","3.9191","0.0005","3.9191","0.0005","12.677","0.003","90","","90","","90","","194.71","0.06","293","2","293","2","","","","","","","","4","I 4 m m","I 4 -2","107","","","","- Ba Cu1.42 Li0.58 S2 -","- Ba Cu1.418 Li0.582 S2 -","- Ba2 Cu2.836 Li1.164 S4 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0315","0.0278","","","0.0635","0.064","","","","","","1.059","","","","has coordinates,has disorder","279973","2022-12-21","16:03:39",""
"1568156","4.2047","0.0006","4.2047","0.0006","19.346","0.004","90","","90","","90","","342.03","0.1","293","2","293","2","","","","","","","","5","I 4 m m","I 4 -2","107","","","","- Ba1.59 Cu1.92 K0.41 O1.86 Se2 -","- Ba1.632 Cu2 K0.368 O1.94 Se2 -","- Ba3.264 Cu4 K0.736 O3.88 Se4 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.033","0.0239","","","0.0546","0.0552","","","","","","1.011","","","","has coordinates,has disorder","279982","2022-12-21","16:18:24",""
"2101591","5.526","0.001","5.526","0.001","8.039","0.001","90","","90","","90","","245.48","0.07","","","","","","","","","","","","4","I 4 m m","I 4 -2","","","","","- Mn O6 Sb Sr2 -","- Mn2 O12 Sb2 Sr4 -","- Mn2 O12 Sb2 Sr4 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101592","4.327","0.003","4.327","0.003","10.891","0.005","90","","90","","90","","203.9","0.2","","","","","","","","","","","","4","I 4 m m","I 4 -2","","","","","- Cu K Na2 O2 -","- Cu2 K2 Na4 O4 -","- Cu2 K2 Na4 O4 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101593","16.563","0.007","16.563","0.007","18.563","0.006","90","","90","","90","","5092","3","","","","","","","","","","","","5","I 4 m m","I 4 -2","","","","","- Cl6 H3 In K3 O1.5 -","- Cl90 In14 K44 O18 -","- Cl90 In14 K44 O18 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101594","8.957","0.001","8.957","0.001","5.281","0.001","90","","90","","90","","423.68","0.1","","","","","","","","","","","","4","I 4 m m","I 4 -2","","","","","- K1.14 Mg0.57 O4 Si1.43 -","- K6 Mg8 O16 -","- K6 Mg8 O16 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106328","4.69","","4.69","","16.39","","90","","90","","90","","360.516","","","","","","","","","","","","","2","I 4 m m","I 4 -2","107","","","","- Ca2 Sb -","- Ca2 Sb -","- Ca8 Sb4 -","4","0.25","","Hamon, C.; Marchand, R.; Laurent, Y.; l'Haridon, P.","Etude structurale de Ca2 Sb","Acta Crystallographica B (24,1968-38,1982)","1975","31","","427","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2204979","4.366","0.0005","4.366","0.0005","9.9726","0.001","90","","90","","90","","190.1","0.04","295","2","295","2","","","","","","","","3","I 4 m m","I 4 -2","107","lanthanum iron trigermanide","lanthanum iron trigermanide","","- Fe Ge3 La -","- Fe Ge3 La -","- Fe2 Ge6 La2 -","2","0.125","WM6044","Tkachuk, Andriy V.; Mar, Arthur","Lanthanum iron trigermanide, LaFeGe~3~","Acta Crystallographica Section E","2005","61","1","i1","i2","10.1107/S1600536804031253","","","0.71073","MoKα","","0.0313","0.0307","","","0.0749","0.0752","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2310830","7.16","","7.16","","5.38","","90","","90","","90","","275.809","","","","","","","","","","","","","2","I 4 m m","I 4 -2","107","","","","- B5 H9 -","- B5 H9 -","- B10 H18 -","2","0.125","","Dulmage, W.J.; Lipscomb, W.N.","The Crystal and Molecular Structure of Pentaborane","Acta Crystallographica (1,1948-23,1967)","1952","5","","260","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4000601","6.221","0.003","6.221","0.003","21.403","0.002","90","","90","","90","","828.3","0.2","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Al7 La2 Ni -","- Al7.001 La2 Ni0.999 -","- Al28.004 La8 Ni3.996 -","4","0.25","","","","Chemistry of Materials","2005","","","","","10.1021/cm050513a","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4002631","13.977","","13.977","","9.255","","90","","90","","90","","1808.03","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","Pr Pd In2","","- In2 Pd Pr -","- In2 Pd Pr -","- In40 Pd20 Pr20 -","20","1.25","","Zaremba, V.I.; Kaczorowski, D.; Poettgen, R.; Rodewald, U.C.; Hoffmann, R.D.","La Pd In2 with Mg Cu Al2 and RE Pd In2 (RE = Y, Pr, Nd, Sm, Gd-Tm, Lu) with Hf Ni Ga2 type structure: synthesis, structure, and physical properties","Chemistry of Materials (1,1989-)","2004","16","","466","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002632","13.685","","13.685","","9.128","","90","","90","","90","","1709.48","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","Tb0.98 Pd In2.02","","- In2.02 Pd Tb0.98 -","- In2.02 Pd Tb0.98 -","- In40.4 Pd20 Tb19.6 -","20","1.25","","Zaremba, V.I.; Kaczorowski, D.; Rodewald, U.C.; Hoffmann, R.D.; Poettgen, R.","La Pd In2 with Mg Cu Al2 and RE Pd In2 (RE = Y, Pr, Nd, Sm, Gd-Tm, Lu) with Hf Ni Ga2 type structure: synthesis, structure, and physical properties","Chemistry of Materials (1,1989-)","2004","16","","466","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002633","13.588","","13.588","","9.084","","90","","90","","90","","1677.21","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","Tm0.99 Pd In2.01","","- In2.01 Pd Tm0.99 -","- In2.014 Pd Tm0.986 -","- In40.28 Pd20 Tm19.72 -","20","1.25","","Zaremba, V.I.; Hoffmann, R.D.; Kaczorowski, D.; Rodewald, U.C.; Poettgen, R.","La Pd In2 with Mg Cu Al2 and RE Pd In2 (RE = Y, Pr, Nd, Sm, Gd-Tm, Lu) with Hf Ni Ga2 type structure: synthesis, structure, and physical properties","Chemistry of Materials (1,1989-)","2004","16","","466","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4103095","28.456","0.003","28.456","0.003","28.08","0.007","90","","90","","90","","22738","7","273","2","273","2","","","","","","","","4","I 4 m m","I 4 -2","107","U32Py16","","","- Na4 O240 P32 U32 -","- Na4 O240 P32 U32 -","- Na8 O480 P64 U64 -","2","0.125","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0313","0.0279","","","0.0686","0.0691","","","","","","0.968","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4124654","5.255","","5.255","","5.048","","90","","90","","90","","139.401","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","(N H3) (B H3)","","- B H6 N -","- B N -","- B2 N2 -","2","0.125","","Hughes, E.W.","The Crystal Structure of Ammonia-Borane, H3 N B H3","Journal of the American Chemical Society","1956","78","","502","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4125227","27.373","0.002","27.373","0.002","18.5827","0.0017","90","","90","","90","","13923.7","1.9","100","2","100","2","","","","","","","","5","I 4 m m","I 4 -2","107","mer-MeMeCH2@ZIF-10-xDMF","mer-MeMeCH2@Zn16Im32-xDMF","","- C247 H395 N101 O45 Zn16 -","- C136 H136 N64 O8 Zn16 -","- C272 H272 N128 O16 Zn32 -","2","0.125","","Ramirez, Joseph R.; Yang, Haiyang; Kane, Christopher M.; Ley, Amanda N.; Holman, K. Travis","Reproducible Synthesis and High Porosity of mer-Zn(Im)2 (ZIF-10): Exploitation of an Apparent Double-Eight Ring Template.","Journal of the American Chemical Society","2016","138","37","12017","12020","10.1021/jacs.6b06375","","","0.71073","MoKα","","0.1159","0.0582","","","0.1701","0.1952","","","","","","0.992","","","","has coordinates,has disorder","187919","2020-10-21","18:00:00",""
"4310078","12.765","0.005","12.765","0.005","6.966","0.004","90","","90","","90","","1135.1","0.9","295","2","295","2","","","","","","","","3","I 4 m m","I 4 -2","107","","mu4-sulfo-tetrakis(mu2,hapta2-disulfo)-octabromo-tetratantalum(IV,V)","","- Br8 S9 Ta4 -","- Br8 S9 Ta4 -","- Br16 S18 Ta8 -","2","0.125","","Maxim N. Sokolov; Artem L. Gushchin; Pavel A. Abramov; Alexandr V. Virovets; Eugenia V. Peresypkina; Svetlana G. Kozlova; Boris A. Kolesov; Cristian Vicent; Vladimir P. Fedin","Synthesis and Structure of Ta4S9Br8. An Emergent Family of Early Transition Metal Chalcogenide Clusters","Inorganic Chemistry","2005","44","","8756","8761","10.1021/ic051014e","","","0.71073","MoKα","","0.0488","0.0335","","","0.0649","0.0695","","","","","","1.016","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4315267","31.2762","0.0012","31.2762","0.0012","16.1133","0.0018","90","","90","","90","","15762","2","291","2","291","2","","","","","","","","6","I 4 m m","I 4 -2","107","","","","- C164 H302 Cu13 N92 O25 W7 -","- C164 H306 Cu13 N92 O25 W7 -","- C328 H612 Cu26 N184 O50 W14 -","2","0.125","","Jun Wang; Zai-Chao Zhang; Hui-Sheng Wang; Ling-Chen Kang; Hong-Bo Zhou; You Song; Xiao-Zeng You","Eicosanuclear Cluster [Cu13W7] of Copper-Octacyanotungstate Bimetallic Assembly: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2010","49","","3101","3103","10.1021/ic100282w","","","0.71073","MoKα","","0.0658","0.0532","","","0.1097","0.1123","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338527","4.9246","0.0003","4.9246","0.0003","11.2337","0.0008","90","","90","","90","","272.44","0.03","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Au0.78 Ba Sn3.22 -","- Au0.786 Ba Sn3.214 -","- Au1.572 Ba2 Sn6.428 -","2","0.125","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0317","0.0313","","","0.0717","0.0724","","","","","","1.13","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338528","4.9597","0.0009","4.9597","0.0009","11.225","0.002","90","","90","","90","","276.12","0.09","296","2","296","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Au0.82 Ba Sn3.18 -","- Au0.821 Ba Sn3.179 -","- Au1.642 Ba2 Sn6.358 -","2","0.125","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0203","0.019","","","0.0377","0.0382","","","","","","1.186","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338529","4.9974","0.0002","4.9974","0.0002","11.1107","0.0004","90","","90","","90","","277.479","0.019","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Au Ba Sn3 -","- Au Ba Sn3 -","- Au2 Ba2 Sn6 -","2","0.125","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0189","0.0185","","","0.0309","0.031","","","","","","0.875","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4343767","3.831","","3.831","","5.963","","90","","90","","90","","87.516","","","","","","","","","","","","","2","I 4 m m","I 4 -2","107","","Sn P","","- P Sn -","- P Sn -","- P2 Sn2 -","2","0.125","","Donohue, P.C.","The synthesis, structure, and superconducting properties of new high-pressure forms of tin phosphide","Inorganic Chemistry","1970","9","","335","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344611","4.2837","0.0001","4.2837","0.0001","10.4482","0.0005","90","","90","","90","","191.725","0.011","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 La -","- Cu Ga3 La -","- Cu2 Ga6 La2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0486","0.0464","","","0.1169","0.1183","","","","","","1.102","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344612","4.2487","0.0001","4.2487","0.0001","10.4372","0.0004","90","","90","","90","","188.407","0.01","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Ce Cu Ga3 -","- Ce Cu Ga3 -","- Ce2 Cu2 Ga6 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.035","0.034","","","0.0919","0.0924","","","","","","1.131","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344613","4.209","0.0001","4.209","0.0001","10.4885","0.0004","90","","90","","90","","185.811","0.009","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Pr -","- Cu Ga3 Pr -","- Cu2 Ga6 Pr2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0245","0.0244","","","0.0583","0.0583","","","","","","1.082","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344614","4.202","0.0003","4.202","0.0003","10.4151","0.0008","90","","90","","90","","183.9","0.02","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Nd -","- Cu Ga3 Nd -","- Cu2 Ga6 Nd2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0504","0.0429","","","0.1129","0.1334","","","","","","1.268","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344615","4.1441","0.0003","4.1441","0.0003","10.5568","0.0011","90","","90","","90","","181.3","0.03","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Sm -","- Cu Ga3 Sm -","- Cu2 Ga6 Sm2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0477","0.0475","","","0.118","0.1182","","","","","","1.067","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344616","4.2589","0.0002","4.2589","0.0002","10.6898","0.0007","90","","90","","90","","193.894","0.018","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Eu Ga3 -","- Cu Eu Ga3 -","- Cu2 Eu2 Ga6 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0312","0.0305","","","0.0724","0.0727","","","","","","1.094","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344617","4.119","0.0001","4.119","0.0001","10.5327","0.0004","90","","90","","90","","178.699","0.009","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Gd -","- Cu Ga3 Gd -","- Cu2 Ga6 Gd2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0261","0.0255","","","0.0649","0.065","","","","","","1.117","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344618","4.1913","0.0008","4.1913","0.0008","10.409","0.002","90","","90","","90","","182.85","0.06","200","2","200","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Nd -","- Cu Ga3 Nd -","- Cu2 Ga6 Nd2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.044","0.044","","","0.1198","0.1198","","","","","","1.339","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344619","4.2194","0.0008","4.2194","0.0008","10.449","0.002","90","","90","","90","","186.03","0.06","400","2","400","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Nd -","- Cu Ga3 Nd -","- Cu2 Ga6 Nd2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0336","0.0335","","","0.0765","0.0766","","","","","","1.201","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344948","6.481","0.003","6.481","0.003","36.58","0.03","90","","90","","90","","1536.5","1.6","400","","400","","","","","","","","","5","I 4 m m","I 4 -2","107","Isopropylammonium Tin Iodide","","","- C12 H30 I7 N3 Sn2 -","- C12 I7 N3 Sn2 -","- C24 I14 N6 Sn4 -","2","0.125","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","","0.71073","MoKα","","0.0676","0.0676","","","0.0793","0.0793","","","","1.04","1.04","1.04","","","","has coordinates","191346","2020-10-21","18:00:00",""
"6000766","7.6262","","7.6262","","5.8017","","90","","90","","90","","337.42","","","","","","","","","","","","","2","I 4 m m","","","","","","- Co5 Ge7 -","","","","","","Audebrand, N.; Ellner, M.; Mittemeijer, E. J.","Powder diffraction data for the germanides CoGe and Co5Ge7","Powder Diffraction","2000","15","","120","122","10.1017/S0885715600010964","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7106915","14.59","0.002","14.59","0.002","13.553","0.003","90","","90","","90","","2885","0.8","223","2","223","2","","","","","","","","7","I 4 m m","I 4 -2","107","","","","- C42 H52 F12 Mn N4 O9 P2 -","- C42 H52 F12 Mn N4 O9 P2 -","- C84 H104 F24 Mn2 N8 O18 P4 -","2","0.125","","Lei-Lei Liu; Hong-Xi Li; Li-Min Wan; Zhi-Gang Ren; Hui-Fang Wang; Jian-Ping Lang","A Mn(III)-superoxo complex of a zwitterionic calix[4]arene with an unprecedented linear end-on Mn(III)-O2 arrangement and good catalytic performance for alkene epoxidation","Chem.Commun.","2011","47","","11146","","10.1039/c1cc14262c","","","0.71073","MoKα","","0.1376","0.1331","","","0.3268","0.3309","","","","","","1.192","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106916","14.607","0.001","14.607","0.001","13.5758","0.0012","90","","90","","90","","2896.6","0.4","223","2","223","2","","","","","","","","7","I 4 m m","I 4 -2","107","","","","- C40 H62 F12 Mn N4 O11 P2 -","- C40 H62.08 F12 Mn N4 O11 P2 -","- C80 H124.16 F24 Mn2 N8 O22 P4 -","2","0.125","","Lei-Lei Liu; Hong-Xi Li; Li-Min Wan; Zhi-Gang Ren; Hui-Fang Wang; Jian-Ping Lang","A Mn(III)-superoxo complex of a zwitterionic calix[4]arene with an unprecedented linear end-on Mn(III)-O2 arrangement and good catalytic performance for alkene epoxidation","Chem.Commun.","2011","47","","11146","","10.1039/c1cc14262c","","","0.71073","MoKα","","0.069","0.0602","","","0.1486","0.1514","","","","","","1.059","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7222159","3.86042","","3.86042","","15.6834","","90","","90","","90","","233.727","","","","","","","","","","","","","4","I 4 m m","I 4 -2","107","","Bi2 V O5 F","","- Bi2 F O5 V -","- Bi2 F O5 V -","- Bi4 F2 O10 V2 -","2","0.125","","Akopjan, A.V.; Serov, T.V.; Ardashnikova, E.I.; Dolgikh, V.A.; Lightfoot, P.","A new anion conductive bismuth-vanadium oxyfluoride","Journal of Materials Chemistry","2002","12","","1490","1494","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222490","12.224","","12.224","","8.12","","90","","90","","90","","1213.34","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","Hf Co Ga2","","- Co Ga2 Hf -","- Co Ga2 Hf -","- Co20 Ga40 Hf20 -","20","1.25","","Schlueter, M.; Heying, B.; Poettgen, R.","Transition metal-gallium ordering in Hf Co Ga2 and Hf Ni Ga2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","16","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222491","12.24","","12.24","","8.093","","90","","90","","90","","1212.47","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","Hf Ni Ga2","","- Ga2 Hf Ni -","- Ga2 Hf Ni -","- Ga40 Hf20 Ni20 -","20","1.25","","Schlueter, M.; Heying, B.; Poettgen, R.","Transition metal-gallium ordering in Hf Co Ga2 and Hf Ni Ga2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","16","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8102935","4.5636","0.0002","4.5636","0.0002","10.2341","0.0006","90","","90","","90","","213.14","0.018","293","2","295.15","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Ba Ge3 Pt -","- Ba Ge3 Pt -","- Ba2 Ge6 Pt2 -","2","0.125","","Demchyna, R.; Prots, Yu.; Schnelle, W.; Burkhardt, U.; Schwarz, U.","Crystal structures of (barium, europium) platinum trigermanium, Ba~1- x~EuxPtGe3 (x = 0, 0.27, 1)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","109","111","","","","0.7107","MoKα","","","0.03","","","","0.074","","","","","","1.111","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102936","4.5432","0.0001","4.5432","0.0001","10.1763","0.0002","90","","90","","90","","210.046","0.008","293","2","295.15","","","","","","","","","4","I 4 m m","I 4 -2","107","","","","- Ba0.75 Eu0.25 Ge3 Pt -","- Ba1.46 Eu0.54 Ge6 Pt2 -","- Ba1.46 Eu0.54 Ge6 Pt2 -","1","0.0625","","Demchyna, R.; Prots, Yu.; Schnelle, W.; Burkhardt, U.; Schwarz, U.","Crystal structures of (barium, europium) platinum trigermanium, Ba~1- x~EuxPtGe3 (x = 0, 0.27, 1)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","109","111","","","","0.7107","MoKα","","","0.025","","","","0.061","","","","","","1.222","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102937","4.4633","0.0001","4.4633","0.0001","10.0625","0.0004","90","","90","","90","","200.456","0.01","293","2","295.15","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Eu Ge3 Pt -","- Eu2 Ge6 Pt2 -","- Eu2 Ge6 Pt2 -","1","0.0625","","Demchyna, R.; Prots, Yu.; Schnelle, W.; Burkhardt, U.; Schwarz, U.","Crystal structures of (barium, europium) platinum trigermanium, Ba~1- x~EuxPtGe3 (x = 0, 0.27, 1)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","109","111","","","","0.7107","MoKα","","","0.018","","","","0.035","","","","","","1.093","","","","has coordinates","176728","2020-10-21","18:00:00",""
"9001533","8.957","","8.957","","5.281","","90","","90","","90","","423.683","","","","","","","","","","","","","4","I 4 m m","I 4 -2","107","","","BCTT","- K2.28 Mg1.14 O8 Si2.86 -","- K2.28 Mg1.14 O8 Si2.86 -","- K4.56 Mg2.28 O16 Si5.72 -","2","0.125","","Dollase, W. A.; Ross, C. R.","Crystal structures of the body-centered tetragonal tectosilicates: K1.14Mg0.57Si1.43O4, K1.10Zn0.55Si1.45O4, and K1.11Fe1.11Si0.89O4 Sample: Mg-rich phase","American Mineralogist","1993","78","","627","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001534","8.939","","8.939","","5.246","","90","","90","","90","","419.185","","","","","","","","","","","","","4","I 4 m m","I 4 -2","107","","","BCTT","- K2.2 O8 Si2.9 Zn1.1 -","- K2.2 O8 Si2.9 Zn1.1 -","- K4.4 O16 Si5.8 Zn2.2 -","2","0.125","","Dollase, W. A.; Ross, C. R.","Crystal structures of the body-centered tetragonal tectosilicates: K1.14Mg0.57Si1.43O4, K1.10Zn0.55Si1.45O4, and K1.11Fe1.11Si0.89O4 Sample: Zn-rich phase","American Mineralogist","1993","78","","627","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001535","9.102","","9.102","","5.341","","90","","90","","90","","442.483","","","","","","","","","","","","","4","I 4 m m","I 4 -2","107","","","BCTT","- Fe2.22 K2.22 O8 Si1.78 -","- Fe2.22 K2.22 O8 Si1.78 -","- Fe4.44 K4.44 O16 Si3.56 -","2","0.125","","Dollase, W. A.; Ross, C. R.","Crystal structures of the body-centered tetragonal tectosilicates: K1.14Mg0.57Si1.43O4, K1.10Zn0.55Si1.45O4, and K1.11Fe1.11Si0.89O4 Sample: Fe-rich phase","American Mineralogist","1993","78","","627","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""