# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T09:39:40+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P m m a' 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
"1001417","36.883","0.003","10.603","0.001","6.4526","0.0005","90","","90","","90","","2523.4","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Potassium niobium phosphorus oxide (7/14.1/8.9/60)","","- K7 Nb14.13 O60 P8.87 -","- K7 Nb14.136 O60 P8.864 -","- K14 Nb28.272 O120 P17.728 -","2","0.25","","Leclaire, A; Benabbas, A; Borel, M M; Grandin, A; Raveau, B","A Niobium Phosphate Bronze Closely Related to the ITB Tumgsten Bronzes: K~7~ Nb~14+x~ P~9-x~ O~6~$0 (x= 0.13)","Journal of Solid State Chemistry","1989","83","","245","254","10.1016/0022-4596(89)90174-6","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011125","6.13","","9.81","","11.4","","90","","90","","90","","685.5","","","","","","","","","","","","from Aurora mine, Kaveltorp, Sweden","3","P m m a","-P 2a 2a","51","","Copper(I) heptathiotetraferrate(III)","Valleriite","- Cu2 Fe4 S7 -","- Cu2 Fe4 S7 -","- Cu4 Fe8 S14 -","2","0.25","","Hiller, J E","Zur Kristallstruktur des Valleriits","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","425","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509152","9.648","","4.661","","9.426","","90","","90","","90","","423.881","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Ag Hg S Br","","- Ag Br Hg S -","- Ag Br Hg S -","- Ag4 Br4 Hg4 S4 -","4","0.5","","Beck, J.; Rompel, M.; Keller, H.L.; Wimbert, L.","Hydrothermalsynthese und Kristallstruktur der Muenzmetall-Quecksilber-Chalkogenidhalogenide Cu Hg Se Br, Ag Hg S Br und Ag Hg S I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2289","2294","10.1002/1521-3749(200109)627:9<2289::AID-ZAAC2289>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509375","10.1585","","4.6477","","9.8487","","90","","90","","90","","464.993","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Ag Hg S I","","- Ag Hg I S -","- Ag Hg I S -","- Ag4 Hg4 I4 S4 -","4","0.5","","Keller, H.L.; Rompel, M.; Wimbert, L.; Beck, J.","Hydrothermalsynthese und Kristallstruktur der Muenzmetall-Quecksilber-Chalkogenidhalogenide Cu Hg Se Br, Ag Hg S Br und Ag Hg S I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2289","2294","10.1002/1521-3749(200109)627:9<2289::AID-ZAAC2289>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510072","4.7645","","3.154","","4.8644","","90","","90","","90","","73.098","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- Au Cd -","- Au Cd -","- Au2 Cd2 -","2","0.25","","Chang, L.C.; Read, T.A.","Plastic deformation and diffusionless phase changes in metals - The gold-cadmium beta phase","Transactions of the American Institute of Mining, Metallurgical and Petroleum Engineers","1951","189","","47","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510087","4.71","","3.08","","4.81","","90","","90","","90","","69.778","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","(Au0.25 Hg0.75) Mn","","- Au0.25 Hg0.75 Mn -","- Au0.25 Hg0.75 Mn -","- Au0.5 Hg1.5 Mn2 -","2","0.25","","Nakagawa, Y.; Hori, T.","Cubic to orthorhombic transition and magnetic property of Mn Hg1-x Aux, (X=.05-.25)","Journal of the Physical Society of Japan","1986","55","","4025","4029","10.1143/JPSJ.55.4025","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510107","6.211","","5.327","","7.172","","90","","90","","90","","237.293","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Cs (Au Te)","","- Au Cs Te -","- Au Cs Te -","- Au2 Cs2 Te2 -","2","0.25","","Kathage, H.U.; Bronger, W.","Zur Synthese und Kristallstruktur von Alkalimetall-Gold-Chalcogeniden AAuX mit A=Na,K,Rb oder Cs und X = S, Se oder Te","Journal of Alloys Compd.","1992","184","","87","94","10.1016/0925-8388(92)90457-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510283","5.936","","5.078","","7.205","","90","","90","","90","","217.18","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Rb (Au Te)","","- Au Rb Te -","- Au Rb Te -","- Au2 Rb2 Te2 -","2","0.25","","Bronger, W.; Kathage, H.U.","Zur Synthese und Kristallstruktur von Alkalimetall-Gold-Chalcogeniden AAuX mit A= Na,K,Rb oder Cs und X= S, Se oder Te","Journal of Alloys Compd.","1992","184","","87","94","10.1016/0925-8388(92)90457-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510336","4.766","","3.151","","4.859","","90","","90","","90","","72.971","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- Au1.05 Cd0.95 -","- Au1.05 Cd0.95 -","- Au2.1 Cd1.9 -","2","0.25","","Miyazaki, S.; Otsuka, K.; Ohba, T.; Emura, Y.","Crystal structure of gamma-martensite in Au-47.5 at.% Cd alloy","Materials Transactions, JIM","1990","31","","12","17","10.2320/matertrans1989.31.12","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522121","3.878","","4.034","","22.559","","90","","90","","90","","352.91","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","Tm Ge1.891","","- Ge1.891 Tm -","- Ge1.89067 Tm -","- Ge11.344 Tm6 -","6","0.75","","Venturini, G.","Orthorhombic Tm Ge1.9, with a (Zr Si2)-(Er Ge1.83) intergrowth structure","Journal of Alloys Compd.","2000","308","","200","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522782","4.51","","2.813","","4.808","","90","","90","","90","","60.997","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- Nb Rh -","- Nb Rh -","- Nb2 Rh2 -","2","0.25","","Ritter, D.L.; Giessen, B.C.; Grant, N.J.","The niobium(columbium)-rhodium binary system. II. Crystal structure relationships","Transactions of the Metallurgical Society of Aime","1964","230","","1259","1267","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522859","16.42","","3.919","","5.473","","90","","90","","90","","352.187","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- Ga Pt2 -","- Ga Pt2 -","- Ga8 Pt16 -","8","1","","Schubert, K.; Biswas, T.K.; Bhan, S.; Panday, P.K.; Frank, K.","Einige Strukturdaten metallischer Phasen. 13. Mitteilung","Naturwissenschaften","1968","55","","542","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523391","16.44","","3.922","","5.488","","90","","90","","90","","353.854","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- Ga Pt2 -","- Ga Pt2 -","- Ga8 Pt16 -","8","1","","Chattopadhyay, T.K.; Khalaff, K.; Schubert, K.","Zur Konstitution der Mischungen Platin-Gallium und Platin-Gallium-Germanium","Metall (Berlin)","1974","28","","1160","1168","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523600","13.661","","2.83","","4.803","","90","","90","","90","","185.687","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- Ir Ta -","- Ir Ta -","- Ir6 Ta6 -","6","0.75","","Ferguson, W.H.jr.; Grant, N.J.; Giessen, B.C.","The constitution diagram tantalum-iridium","Transactions of the Metallurgical Society of Aime","1963","227","","1401","1406","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523679","4.429","","2.752","","4.804","","90","","90","","90","","58.554","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- Ir Mo -","- Ir Mo -","- Ir2 Mo2 -","2","0.25","","Giessen, B.C.; Grant, N.J.; Jaehnigen, U.","Ordered A B and A B3 phases in T6-T9 alloy systems and a modified Mo-Ir phase-diagram","Journal of the Less-Common Metals","1966","10","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523681","4.452","","2.76","","4.811","","90","","90","","90","","59.115","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- Ir W -","- Ir W -","- Ir2 W2 -","2","0.25","","Giessen, B.C.; Jaehnigen, U.; Grant, N.J.","Ordered AB and AB3 phases in T6-T9 alloy systems and a modified Mo-Ir phase diagram","Journal of the Less-Common Metals","1966","10","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524338","16.702","","3.84","","8.929","","90","","90","","90","","572.667","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","Li (Ta3 O8)","","- O8 Ta3 -","- O8 Ta3 -","- O32 Ta12 -","4","0.5","","Fallon, G.D.; Gatehouse, B.M.; Roth, R.S.; Roth, S.A.","Crystal structures of some niobium and tantalum oxides, part VI. The structure of H-Li Ta3 O8","Journal of Solid State Chemistry","1979","27","","255","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","145078","2020-10-21","18:00:00",""
"1525455","16.702","","3.8485","","8.934","","90","","90","","90","","574.256","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Li Ta3 O8","","- Li O8 Ta3 -","- Li O8 Ta3 -","- Li4 O32 Ta12 -","4","0.5","","Werner, P.E.; Marinder, B.O.; Magneli, A.","Structural studies on Li(1-x) Ta3 O(8-x) F(x) solid solutions by full-profile refinements of Guinier-Haegg X-Ray film data","Materials Research Bulletin","1978","13","","1371","1378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525456","16.6915","","3.8745","","8.931","","90","","90","","90","","577.579","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Li0.75 Ta3 O7.75 F0.25","","- F0.25 Li0.75 O7.75 Ta3 -","- Li0.75 O7.75 Ta3 -","- Li3 O31 Ta12 -","4","0.5","","Werner, P.E.; Marinder, B.O.; Magneli, A.","Structural studies on Li(1-x) Ta3 O(8-x) F(x) solid solutions by full-profile refinements of Guinier-Haegg X-Ray film data","Materials Research Bulletin","1978","13","","1371","1378","","","","","","","","","","","","","","","","","","","","","","has coordinates","146425","2020-10-21","18:00:00",""
"1525457","16.683","","3.9084","","8.92","","90","","90","","90","","581.618","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Li0.5 Ta3 O7.5 F0.5","","- Li0.5 O7.5 Ta3 -","- Li0.5 O7.5 Ta3 -","- Li2 O30 Ta12 -","4","0.5","","Werner, P.E.; Marinder, B.O.; Magneli, A.","Structural studies on Li(1-x) Ta3 O(8-x) F(x) solid solutions by full-profile refinements of Guinier-Haegg X-Ray film data","Materials Research Bulletin","1978","13","","1371","1378","","","","","","","","","","","","","","","","","","","","","","has coordinates","146426","2020-10-21","18:00:00",""
"1525483","5.021","","4.043","","6.86","","90","","90","","90","","139.257","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- Co2 Ga Pr -","- Co2 Ga Pr -","- Co4 Ga2 Pr2 -","2","0.25","","Yarmolyuk, Ya.P.; Kripyakevich, P.I.","Crystal structure of the compounds Pr Co2 Ga and La Co2 Ga","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki","1976","1976","","86","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528963","7.8235","","3.8746","","7.4367","","90","","90","","90","","225.428","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Y Ba Co2 O5","","- Ba Co2 O5 Y -","- Ba Co2 O5 Y -","- Ba2 Co4 O10 Y2 -","2","0.25","","Vogt, T.; Karen, P.; Woodward, P.M.; Hunter, B.A.; Henning, P.; Moodenbaugh, A.R.","Low to high spin-state transition induced by charge ordering in antiferromagnetic Y Ba Co2 O5","Physical Review Letters","2000","84","","2969","2972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529171","7.701","","4.082","","7.023","","90","","90","","90","","220.771","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","La Co Al4","","- Al4 Co La -","- Al4 Co La -","- Al8 Co2 La2 -","2","0.25","","Rykhal', R.M.; Yarmolyuk, Ya.P.; Zarechnyuk, O.S.","Crystal structure of the compounds La Co Al4, Ce Co Al4 and Pr Co Al4","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki","1977","1977","","265","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531599","8.07606","","3.86005","","7.56511","","90","","90","","90","","235.835","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Gd Ba Fe2 O4.999","","- Ba Fe2 Gd O4.999 -","- Ba Fe2 Gd O5 -","- Ba2 Fe4 Gd2 O10 -","2","0.25","","Karen, P.","Effects of oxygen nonstoichiometry and of its distribution on Verwey-type transitions and structure of Gd Ba Fe2 O5+w","Journal of Solid State Chemistry","2003","170","","9","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532997","8.03833","","3.84648","","7.54026","","90","","90","","90","","233.139","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Dy Ba (Fe2 O5.013)","","- Ba Dy Fe2 O5.013 -","- Ba Dy Fe2 O5.013 -","- Ba2 Dy2 Fe4 O10.026 -","2","0.25","","Karen, P.","Chemistry and thermodynamics of the twin charge-ordering transitions in R Ba Fe2 O5+w","Journal of Solid State Chemistry","2004","177","","281","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532999","8.04527","","3.85127","","7.5468","","90","","90","","90","","233.834","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Dy Ba (Fe2 O4.996)","","- Ba Dy Fe2 O4.996 -","- Ba Dy Fe2 O5 -","- Ba2 Dy2 Fe4 O10 -","2","0.25","","Karen, P.","Chemistry and thermodynamics of the twin charge-ordering transitions in R Ba Fe2 O5+w","Journal of Solid State Chemistry","2004","177","","281","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533271","24.7578","","8.4779","","4.8827","","90","","90","","90","","1024.85","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","(Sr0.976 Eu0.024 O)4 (Al2 O3)7","","- Al14 Eu0.096 O25 Sr3.904 -","- Al14 Eu0.0948 O25 Sr3.9052 -","- Al28 Eu0.1896 O50 Sr7.8104 -","2","0.25","","Yuan Zhaoxin; Chang Chengkang; Mao Dali","Rietveld analysis for Eu(2+) doped 4(Sr O) * 7(Al2 O3) and its luminescent properties","Journal of Alloys Compd.","2004","368","","274","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","159407","2020-10-21","18:00:00",""
"1534320","16.19","","6.91","","6.67","","90","","90","","90","","746.192","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Cs Nb4 Cl11","","- Cl11 Cs Nb4 -","- Cl11 Cs Nb4 -","- Cl22 Cs2 Nb8 -","2","0.25","","Broll, A.; Simon, A.; Schaefer, H.; von Schnering, H.G.","Beitraege zur Chemie der Elemente Niob und Tantal. LXXIII. Cs Nb4 Cl11, Cs Nb4 Br11 und Rb Nb4 Cl11 Verbindungen mit planaren Nb4-Gruppen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","367","","1","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534321","17.04","","7.31","","7.01","","90","","90","","90","","873.182","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Cs Nb4 Br11","","- Br11 Cs Nb4 -","- Br11 Cs Nb4 -","- Br22 Cs2 Nb8 -","2","0.25","","Broll, A.; Simon, A.; Schaefer, H.; von Schnering, H.G.","Beitraege zur Chemie der Elemente Niob und Tantal. LXXIII. Cs Nb4 Cl11, Cs Nb4 Br11 und Rb Nb4 Cl11 Verbindungen mit planaren Nb4-Gruppen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","367","","1","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534975","10.201","","4.312","","9.256","","90","","90","","90","","407.141","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Cu Hg Br Se","","- Br Cu Hg Se -","- Br Cu Hg Se -","- Br4 Cu4 Hg4 Se4 -","4","0.5","","Beck, J.; Keller, H.L.; Rompel, M.; Wimbert, L.","Hydrothermalsynthese und Kristallstruktur der Muenzmetall-Quecksilber-Chalkogenidhalogenide Cu Hg Se Br, Ag Hg S Br und Ag Hg S I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2289","2294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535254","28.1455","","6.7835","","6.4139","","90","","90","","90","","1224.57","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Li (Nb6 Cl19)","","- Cl19 Li Nb6 -","- Cl19 Li Nb6 -","- Cl38 Li2 Nb12 -","2","0.25","","Stroebele, M.; Meyer, H.J.","Die Leiterstruktur von Li Nb6 Cl19","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2005","2010","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535259","16.2109","","6.9022","","6.5793","","90","","90","","90","","736.164","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Rb (Nb4 Cl11)","","- Cl11 Nb4 Rb -","- Cl11 Nb4 Rb -","- Cl22 Nb8 Rb2 -","2","0.25","","Stroebele, M.; Meyer, H.J.","Die Netzstruktur von Rb Nb4 Cl11","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1022","1026","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535958","6.5294","","5.09396","","8.7716","","90","","90","","90","","291.748","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- K2 S -","- K2 S -","- K8 S4 -","4","0.5","","Vegas, A.; Grzechnik, A.; Muehle, C.; Hanfland, M.; Jansen, M.","Antifluorite to (Ni2 In)-type phase transition in K2 S at high pressures","Solid State Sciences","2002","4","","1077","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536158","9.639","","8.801","","7.67","","90","","90","","90","","650.668","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Ce Os Ga4","","- Ce Ga4 Os -","- Ce Ga4 Os -","- Ce6 Ga24 Os6 -","6","0.75","","Jeitschko, W.; Schlueter, M.","Preparation and Crystal Structures of Ternary Rare Earth Osmium Gallides LnOsGa3 (Ln = Gd-Tm) and LnOsGa4 (Ln = La-Nd)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1505","1510","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538109","13.551","","2.822","","4.742","","90","","90","","90","","181.338","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","(Rh3 Ta2)2.4","","- Rh7.2 Ta4.8 -","- Rh7.2 Ta4.8 -","- Rh7.2 Ta4.8 -","1","0.125","","Giessen, B.C.; Grant, N.J.; Ibach, H.","The constitution diagram Ta-Rh","Transactions of the Metallurgical Society of Aime","1964","230","","113","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","166536","2020-10-21","18:00:00",""
"1538371","16.705","","3.836","","8.928","","90","","90","","90","","572.11","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Li (Ta3 O8)","","- Li O8 Ta3 -","- Li O8 Ta3 -","- Li4 O32 Ta12 -","4","0.5","","Nord, A.G.; Thomas, J.O.","Structural studies of the solid electrolyte high-Li Ta3 O8","Acta Chemica Scandinavica, Series A: (28,1974-)","1978","32","","539","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539822","9.388","","4.046","","8.045","","90","","90","","90","","305.58","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Nd2 Cr9 Ge8","","- Cr9 Ge8 Nd2 -","- Cr9 Ge8 Nd2 -","- Cr9 Ge8 Nd2 -","1","0.125","","Bodak, O.I.; Gladyshevskii, E.I.; Salamakha, P.S.; Pecharskii, V.K.; Bruskov, V.A.","The crystal structure of Nd2 Cr9 Ge8","Soviet Physics, Crystallography (= Kristallografiya)","1989","34","","774","775","","","","","","","","","","","","","","","","","","","","","","has coordinates","168875","2020-10-21","18:00:00",""
"1540331","16.686","","3.951","","8.907","","90","","90","","90","","587.206","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Cd.88 Nb6 O16","","- Cd0.88 Nb6 O16 -","- Cd0.8872 Nb6 O16 -","- Cd1.7744 Nb12 O32 -","2","0.25","","Krumeich, F.; Gruehn, R.","Quaternaere Nioboxidfluoride des Cadmiums und Mangans mit LiNb6O15F - Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","580","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","169589","2020-10-21","18:00:00",""
"1540343","18.079","","3.425","","13.858","","90","","90","","90","","858.095","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- Nb2 P -","- Nb2 P -","- Nb36 P18 -","18","2.25","","Kuz'ma, Yu.B.; Orishchin, S.V.; Glovyak, T.; Lomnitskaya, Ya.F.","New phosphide Nb2 P and its crystal structure","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1988","1988","","47","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540756","4.978","","3.97","","6.777","","90","","90","","90","","133.932","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- Cu Fe2 Ge2 -","- Cu Fe2 Ge2 -","- Cu2 Fe4 Ge4 -","2","0.25","","Zavalii, I.Yu.; Pecharskii, V.K.; Bodak, O.I.","Crystal structure of the compounds Cu Fe2 Ge2 and Cu1±x Co2∓x Ge2","Soviet Physics, Crystallography (= Kristallografiya)","1987","32","","35","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542004","16.635","","3.964","","8.888","","90","","90","","90","","586.085","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Li Nb6 O15 F","","- F Li Nb6 O15 -","- F Nb6 O15 -","- F2 Nb12 O30 -","2","0.25","","Lundberg, M.","The crystal structure of Li Nb6 O15 F","Acta Chemica Scandinavica (1-27,1973-42,1988)","1965","19","","2274","2284","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544358","5.5095","0.0001","11.8845","0.0005","5.6028","0.0001","90","","90","","90","","366.858","0.018","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","Sr2LaFe3O8","","","- Fe3 La O8 Sr2 -","- Fe3 O8 Sr3 -","- Fe6 O16 Sr6 -","2","0.25","","Battle, P.D.; Gibb, T.C.; Lightfoot, P.","The crystal and magnetic structures of Sr2LaFe3O8","Journal of Solid State Chemistry","1990","84","","237","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","187595","2020-10-21","18:00:00",""
"1550823","7.92","0.006","9.03","0.004","10.77","0.002","90","","90","","90","","770.2","0.7","100","","100","","","","","","","","","7","P m m a","-P 2a 2a","51","","Hydroxylammonium lead iodide","","- C6 H20 I3 N O3 Pb S -","- C6 H20 I3 N O3 Pb S -","- C12 H40 I6 N2 O6 Pb2 S2 -","2","0.25","","D'Annibale, Andrea; Panetta, Riccardo; Tarquini, Ombretta; Colapietro, Marcello; Quaranta, Simone; Cassetta, Alberto; Barba, Luisa; Chita, Giuseppe; Latini, Alessandro","Synthesis, physico-chemical characterization and structure of the elusive hydroxylammonium lead iodide perovskite NH<sub>3</sub>OHPbI<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5397","5407","10.1039/c9dt00690g","","","0.7","Synchrotron","","0.0413","0.0394","","","0.1239","0.1259","","","","","","1.151","","","","has coordinates,has disorder","224191","2020-10-21","18:00:00",""
"1561938","19.181","0.0017","6.7195","0.0005","9.9133","0.0007","90","","90","","90","","1277.69","0.17","293","2","293","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C17 H13 Cd N4 O4 -","- C17 H12 Cd N4 O4 -","- C34 H24 Cd2 N8 O8 -","2","0.25","","Mu, Bao; Li, Qian; Lv, Lei; Yang, Dan-Dan; Wang, Qing; Huang, Ru-Dan","Assembly and property research on seven 0D‒3D complexes derived from imidazole dicarboxylate and 1,2-bi(pyridin-4-yl)ethene","Journal of Solid State Chemistry","2015","226","","1","10","10.1016/j.jssc.2015.01.032","","","0.71073","MoKα","","0.1307","0.1122","","","0.277","0.2929","","","","","","1.102","","","","has coordinates","264310","2021-04-19","09:41:16",""
"1564482","5.802","0.011","2.905","0.009","8.411","0.016","90","","90","","90","","141.8","0.6","","","298","","","","100","","","","","4","P m m a","-P 2a 2a","51","(Mg1.96Fe0.04)SiO4","","poirierite","- Fe0.04 Mg1.96 O4 Si -","- Fe0.04 Mg1.96 O4 Si -","- Fe0.08 Mg3.92 O8 Si2 -","2","0.25","","Tomioka, N.; Bindi, L.; Okuchi, T.; Miyahara, M.; Iitaka, T.; Li, Z.; Kawatsu, T.; Xie, X.; Purevjav, N.; Tani, R.; Kodama, Y.","Poirierite, a dense metastable polymorph of magnesium iron silicate in shocked meteorites","Communications Earth and Environment","2021","2","","1","8","10.1038/s43247-020-00090-7","","","","","","","","","","","","","","","","","","","","","has coordinates","268324","2021-08-31","08:53:12",""
"2002171","6.553","","6","","10.563","","90","","90","","90","","415.3","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Tribarium dicopper tetraoxide dichloride","","- Ba3 Cl2 Cu2 O4 -","- Ba3 Cl2 Cu2 O4 -","- Ba6 Cl4 Cu4 O8 -","2","0.25","","Kipka, R; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba3 Cu2 O4 Cl2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1976","422","","231","236","10.1002/zaac.19764220306","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2012675","6.6738","0.0006","5.4133","0.0005","7.1954","0.0006","90","","90","","90","","259.95","0.04","270","2","270","2","","","","","","","","4","P m m a","-P 2a 2a","51","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu2 H8 O8 P4 -","2","0.25","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0511","0.0331","","","0.0418","0.0452","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014319","18.513","0.002","13.916","0.001","9.6383","0.0007","90","","90","","90","","2483.1","0.4","293","2","293","2","","","","","","","","4","P m m a","-P 2a 2a","51","","Poly[caesium [[μ~4~-carbido-dodecakis-μ~2~-chloro-hexazirconium]-tri-μ~2~-chloro]]","","- C Cl15 Cs Zr6 -","- C Cl15 Cs Zr6 -","- C4 Cl60 Cs4 Zr24 -","4","0.5","FA1155","Rohm, Henning W.; Köckerling, Martin","Cation distribution in the zirconium chloride cluster phase Cs[(Zr~6~C)Cl~15~]","Acta Crystallographica Section C","2006","62","2","i19","i20","10.1107/S0108270105043076","","","0.71073","MoKα","","0.0583","0.0455","","","0.117","0.1275","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014716","21.06","0.005","12.643","0.004","12.018","0.008","90","","90","","90","","3200","2","93.1","","","","","","","","","","","5","P m m a","-P 2a 2a","51","","Tetra-n-butylammonium bromide‒water (1/38)","","- C16 H112 Br N O38 -","- C16 H38 Br N O38 -","- C32 H76 Br2 N2 O76 -","2","0.25","OB1208","Shimada, Wataru; Shiro, Motoo; Kondo, Hidemasa; Takeya, Satoshi; Oyama, Hiroyuki; Ebinuma, Takao; Narita, Hideo","Tetra-<i>n</i>-butylammonium bromide‒water (1/38)","Acta Crystallographica Section C","2005","61","2","o65","o66","10.1107/S0108270104032743","","","0.7107","MoKα","","","0.059","","","","0.156","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2022131","11.857","0.003","12.936","0.003","13.877","0.003","90","","90","","90","","2128.5","0.9","200","","200","","","","","","","","","5","P m m a","-P 2a 2a","51","","Poly[(μ-4,4'-bipyridyl)[μ~8~-4,4',4'',4'''-(ethene-1,1,2,2-tetrayl)tetrabenzoato]cobalt(II)]","","- C40 H24 Co2 N2 O8 -","- C40 H24 Co2 N2 O8 -","- C80 H48 Co4 N4 O16 -","2","0.25","YP3203","Dou, Yong; Yang, Lu; Qin, Lan; Dong, Yunhui; Zhou, Zhen; Zhang, Daopeng; Wang, Suna","Self-assembly of a cobalt(II)-based metal‒organic framework as an effective water-splitting heterogeneous catalyst for light-driven hydrogen production","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620007044","","","0.71073","MoKα","","0.0828","0.0572","","","0.1543","0.1774","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","252456","2020-10-21","18:00:00",""
"2100942","10.942","0.001","5.158","0.001","25.726","0.002","90","","90","","90","","1451.9","0.3","","","","","","","","","","","","3","P m m a","-P 2a 2a","","","","","- O5 S Ti -","- O10 S2 Ti2 -","- O160 S32 Ti32 -","16","2","AL0545","Gatehouse, B. M.; Platts, S. N.; Williams, T. B.","Structure of anhydrous titanyl sulfate, titanyl sulfate monohydrate and prediction of a new structure","Acta Crystallographica Section B","1993","49","3","428","435","10.1107/S010876819201320X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106241","14.3","","9.881","","6.267","","90","","90","","90","","885.516","","","","","","","","","","","","","5","P m m a","-P 2a 2a","51","","H4 W (C N)8 (H2 O)6","","- C8 H16 N8 O6 W -","- C8 N8 O6 W -","- C16 N16 O12 W2 -","2","0.25","","Basson, S.S.; Bok, L.D.C.; Leipoldt, J.G.","The Square Antiprismatic Configuration for the Octacyanotungstate(IV) Ion. The Crystal Structure of H4 W (C N)8 (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1209","1216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106706","5.6664","","11.496","","8.0983","","90","","90","","90","","527.531","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Ni10.3 Al11.3 Si2.4 O32","","- Al11.3 Ni10.3 O32 Si2.4 -","- Al11.3 Ni10.3 O32 Si2.4 -","- Al11.3 Ni10.3 O32 Si2.4 -","1","0.125","","Ma, C.; Sahl, K.; Tillmanns, E.","Nickel alumosilicate, phase I","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2137","2139","","","","","","","","","","","","","","","","","","","","","","has coordinates","155404","2020-10-21","18:00:00",""
"2106985","5.661","","8.59","","8.097","","90","","90","","90","","393.741","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Ni3 Al2 Si O8","","- Al2 Ni3 O8 Si -","- Al2.00667 Ni2.99333 O8 Si -","- Al6.02 Ni8.98 O24 Si3 -","3","0.375","","Horioka, K.; Morimoto, N.; Nishiguchi, M.; Horiuchi, H.; Wkaogi, M.; Akimoto, S.I.","Structure of Nickel Aluminosilicate (Phase V): A High-Pressure Phase Related to Spinel","Acta Crystallographica B (24,1968-38,1982)","1981","37","","638","640","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2209034","6.3101","0.0008","8.2299","0.001","10.5401","0.0013","90","","90","","90","","547.36","0.12","153","2","153","2","","","","","","","","4","P m m a","-P 2a 2a","51","cesium zirconium uranium pentatelluride","cesium zirconium uranium pentatelluride","","- Cs Te5 U Zr -","- Cs Te5 U Zr -","- Cs2 Te10 U2 Zr2 -","2","0.25","WM2013","Jong-Young Kim; Danielle L. Gray; James A. Ibers","Caesium zirconium uranium pentatelluride, CsZrUTe~5~","Acta Crystallographica Section E","2006","62","5","i124","i125","10.1107/S1600536806013584","","","0.71073","MoKα","","0.0258","0.0247","","","0.0667","0.0672","","","","","","1.266","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2238916","17.837","0.002","9.163","0.004","10.552","0.003","90","","90","","90","","1724.6","0.9","298","","298","","","","","","","","","7","P m m a","-P 2a 2a","51","","Bis(4-aminopyridinium) μ~6~-oxido-dodeca-μ~2~-oxido-hexaoxido[rhenium(VII)tetratungsten(VI)vanadium(V)]ate heptahydrate","","- C10 H28 N4 O26 Re V W4 -","- C10 H28 N4 O26 Re V W4 -","- C20 H56 N8 O52 Re2 V2 W8 -","2","0.25","RZ5088","Maaloui, Ahlem; Toumi, Samah Akriche; Rzaigui, Mohamed","Bis(4-aminopyridinium) μ~6~-oxido-dodeca-μ~2~-oxido-hexaoxido[rhenium(VII)tetratungsten(VI)vanadium(V)]ate heptahydrate","Acta Crystallographica Section E","2013","69","12","m661","m662","10.1107/S1600536813030687","","","0.56087","AgKα","","0.1631","0.0691","","","0.1544","0.1924","","","","","","1.025","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2300622","8.6068","","5.6226","","4.3728","","90","","90","","90","","211.611","","293","","293","","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- Mn1.52 Ni2 Sn0.48 -","- Mn1.52 Ni2 Sn0.48 -","- Mn6.08 Ni8 Sn1.92 -","4","0.5","","Lin, Chunqing; Yan, Haile; Zhang, Yudong; Esling, Claude; Zhao, Xiang; Zuo, Liang","Crystal structure of modulated martensite and crystallographic correlations between martensite variants of Ni~50~Mn~38~Sn~12~ alloy","Journal of Applied Crystallography","2016","49","4","1276","1283","10.1107/S1600576716010372","powder diffraction","","1.5418","RigakuSmartLab","","0.0735","","","","","","","","3.59","","","","","","","has coordinates,has Fobs","208743","2020-10-21","18:00:00",""
"2310317","5.0051","","3.2271","","5.277","","90","","90","","90","","85.234","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- Cd Mg -","- Cd Mg -","- Cd2 Mg2 -","2","0.25","","Steeple, H.","The crystal structure of the cadmium-magnesium alloy, Cd Mg","Acta Crystallographica (1,1948-23,1967)","1952","5","","247","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002175","10.8672","0.0011","3.1543","0.0003","6.35","0.0006","90","","90","","90","","217.67","0.04","296","2","296","2","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- B3 Nb3 Ru3 -","- B3 Nb3 Ru3 -","- B6 Nb6 Ru6 -","2","0.25","","Xie, Weiwei; Luo, Huixia; Baroudi, Kristen; Krizan, Jason W.; Phelan, Brendan F.; Cava, Robert J.","Fragment-Based Design of NbRuB as a New Metal-Rich Boride Superconductor","Chemistry of Materials","2015","27","4","1149","","10.1021/cm504449s","","","0.71073","MoKα","","0.0135","0.0115","","","0.0199","0.0203","","","","","","1.141","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002817","5.188995","0.000016","4.230802","0.000012","7.86657","0.00002","90","","90","","90","","172.7","0.0008","100","","100","","","","","","","","","2","P m m a","-P 2a 2a","51","","","CuBi","- Bi Cu -","- Bi Cu -","- Bi4 Cu4 -","4","0.5","","Clarke, Samantha M.; Amsler, Maximilian; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Wolverton, Chris; Freedman, Danna E.","Creating Binary Cu‒Bi Compounds via High-Pressure Synthesis: A Combined Experimental and Theoretical Study","Chemistry of Materials","2017","29","12","5276","","10.1021/acs.chemmater.7b01418","powder diffraction","","0.414204","","","1.107","","","","","","","","1.15","","","","","","","has coordinates","198416","2020-10-21","18:00:00",""
"4002884","9.99085","0.0003","4.09781","0.00011","9.00711","0.00027","90","","90","","90","","368.757","0.019","300","","300","","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs2 Cu10 Se6 -","2","0.25","","Xia, Zhiguo; Fang, Huajing; Zhang, Xiuwen; Molokeev, Maxim S.; Gautier, Romain; Yan, Qingfeng; Wei, Su-Huai; Poeppelmeier, Kenneth R.","CsCu5Se3: A Copper-Rich Ternary Chalcogenide Semiconductor with Nearly Direct Band Gap for Photovoltaic Application","Chemistry of Materials","2018","30","3","1121","","10.1021/acs.chemmater.7b05104","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.57","1.474","","","","","","","has coordinates","227517","2020-10-21","18:00:00",""
"4002885","9.63647","0.00033","3.95467","0.00015","8.94895","0.00024","90","","90","","90","","341.04","0.02","300","","300","","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- Cs Cu5 S3 -","- Cs Cu5 S3 -","- Cs2 Cu10 S6 -","2","0.25","","Xia, Zhiguo; Fang, Huajing; Zhang, Xiuwen; Molokeev, Maxim S.; Gautier, Romain; Yan, Qingfeng; Wei, Su-Huai; Poeppelmeier, Kenneth R.","CsCu5Se3: A Copper-Rich Ternary Chalcogenide Semiconductor with Nearly Direct Band Gap for Photovoltaic Application","Chemistry of Materials","2018","30","3","1121","","10.1021/acs.chemmater.7b05104","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.36","2.642","","","","","","","has coordinates","227517","2020-10-21","18:00:00",""
"4107911","5.52075","0.00005","11.68876","0.00013","5.60301","0.00005","90","","90","","90","","361.566","0.006","","","","","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- Ba Ca Fe3 Nd O8 -","- Ba Ca1.0004 Fe3 Nd0.9999 O8 -","- Ba2 Ca2.0008 Fe6 Nd1.9998 O16 -","2","0.25","","Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky","Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments","Journal of the American Chemical Society","2008","130","","7570","7583","10.1021/ja077762f","powder diffraction","","","","","","","","","","","","","1.11","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4113918","8.03183","0.00008","3.83589","0.000033","7.52198","0.00009","90","","90","","90","","231.746","0.004","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","","","- Ba Fe2 Ho O5 -","- Ba Fe2 Ho O5 -","- Ba2 Fe4 Ho2 O10 -","2","0.25","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113919","8.0314","0.0019","7.672","0.004","7.5218","0.0017","90","","90","","90","","463.5","0.3","","","","","","","","","","","","1","P m m a","-P 2a 2a","51","","","","- Fe -","- Fe2 -","- Fe8 -","4","0.5","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113920","8.02258","0.00008","3.84893","0.00004","7.54252","0.00008","90","","90","","90","","232.901","0.004","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","","","- Ba Fe2 Ho O5 -","- Ba Fe2 Ho O5 -","- Ba2 Fe4 Ho2 O10 -","2","0.25","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113921","8.0228","0.0019","7.696","0.004","7.5424","0.0017","90","","90","","90","","465.7","0.3","","","","","","","","","","","","1","P m m a","-P 2a 2a","51","","","","- Fe -","- Fe2 -","- Fe8 -","4","0.5","","Patrick M. Woodward; Emmanuelle Suard; Pavel Karen","Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5","Journal of the American Chemical Society","2003","125","","8889","8899","10.1021/ja034813+","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4119072","18.672","","14.026","","9.731","","90","","90","","90","","2548.49","","","","","","","","","","","","","5","P m m a","-P 2a 2a","51","","Cs K Zr6 Cl15 B","","- B Cl15 Cs K Zr6 -","- B0.995 Cl15 Cs K Zr6 -","- B3.98 Cl60 Cs4 K4 Zr24 -","4","0.5","","Corbett, J.D.; Ziebarth, R.P.","Cation distributions within a cluster framework. Synthesis and structure of the carbon- and boron-centered zirconium cluster compounds Cs K Zr6 Cl15 C and Cs K Zr6 Cl15 B","Journal of the American Chemical Society","1987","109","","4844","4850","10.1021/ja00250a015","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121091","4.77472","0.00007","13.9792","0.0004","8.0718","0.0004","90","","90","","90","","538.77","0.03","298","","298","2","","","","","","","","3","P m m a","-P 2a 2a","51","Lithium calcium diazenide","Lithium pernitride","","- Ca3 Li2 N6 -","- Ca3 Li2 N6 -","- Ca12 Li8 N24 -","4","0.5","","Sebastian B. Schneider; Markus Seibald; Volker L. Deringer; Ralf P. Stoffel; Rainer Frankovsky; Gina M. Friederichs; Henryk Laqua; Viola Duppel; Gunnar Jeschke; Richard Dronskowski; Wolfgang Schnick","High-Pressure Synthesis and Characterization of Li2Ca3[N2]3 - An Uncommon Metallic Diazenide with [N2]2- Ions","Journal of the American Chemical Society","2013","135","","16668","16679","10.1021/ja408816t","powder diffraction","x-ray","1.5406","CuKα1","","0.03787","","","","","","","","1.644","","","","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4124474","18.489","","13.909","","9.69","","90","","90","","90","","2491.91","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","K Zr6 Cl15 C","","- C Cl15 K Zr6 -","- C Cl15 K Zr6 -","- C4 Cl60 K4 Zr24 -","4","0.5","","Ziebarth, R.P.; Corbett, J.D.","Cation distributions within a cluster framework. Synthesis and structure of the carbon- and boron-centered zirconium cluster compounds K Zr6 C15 C and Cs K Zr6 Cl15 B","Journal of the American Chemical Society","1987","109","","4844","4850","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124489","25.1106","","12.4972","","12.8596","","90","","90","","90","","4035.5","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","Si O2","","- O2 Si -","- O2 Si -","- O148 Si74 -","74","9.25","","Burton, A.; Medrud, R.C.; Elomari, S.; Chen Congyan; Chan, I.Y.; Vittoratos, E.S.; Bull, L.M.","The synthesis, characterization and structure solution of SSZ-58: a novel two-dimensional 10-ring pore zeolite with previously unseen double 5-ring subunit","Journal of the American Chemical Society","2003","125","","1633","1642","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124540","5.4353","","7.6942","","5.4366","","90","","90","","90","","227.36","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","La0.606 Li0.183 (Ti O3)","","- La0.606 Li0.183 O3 Ti -","- La0.606 O3 Ti -","- La2.424 O12 Ti4 -","4","0.5","","Garcia-Martin, S.; Alario-Franco, M.A.; Ehrenberg, H.; Rodriguez-Carvajal, J.; Amador, U.","Crystal structure and microstructure of some La2/3-x Li3x Ti O3 oxides: an example of the complementary use of electron diffraction and microscopy and synchrotron X-ray diffraction to study complex materials","Journal of the American Chemical Society","2004","126","","3587","3596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124541","5.4276","","7.6947","","5.4126","","90","","90","","90","","226.05","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","La0.58 Li0.27 (Ti O3)","","- La0.58 O3 Ti -","- La0.58 O3 Ti -","- La2.32 O12 Ti4 -","4","0.5","","Garcia-Martin, S.; Alario-Franco, M.A.; Rodriguez-Carvajal, J.; Ehrenberg, H.; Amador, U.","Crystal structure and microstructure of some La2/3-x Li3x Ti O3 oxides: an example of the complementary use of electron diffraction and microscopy and synchrotron X-ray diffraction to study complex materials","Journal of the American Chemical Society","2004","126","","3587","3596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4134255","14.9183","0.0009","5.8648","0.0003","9.4829","0.0005","90","","90","","90","","829.69","0.08","423","2","423","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C5 H16 Cl6 N2 Pb2 -","- C5 H16 Cl6 N2 Pb2 -","- C10 H32 Cl12 N4 Pb4 -","2","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00375","","","0.71073","MoKα","","0.0539","0.0494","","","0.1422","0.1472","","","","","","1.008","","","","has coordinates","248461","2020-10-21","18:00:00",""
"4135512","11.9047","0.0006","6.0106","0.0004","9.713","0.0006","90","","90","","90","","695.01","0.07","293","2","293","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C5 H16 Br4 N Pb -","- C5 H16 Br4 N2 Pb -","- C10 H32 Br8 N4 Pb2 -","2","0.25","","Zhang, Han-Yue; Zhang, Zhi-Xu; Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Yi; Xiong, Ren-Gen","Large Electrostrictive Coefficient in a Two-Dimensional Hybrid Perovskite Ferroelectric.","Journal of the American Chemical Society","2021","143","3","1664","1672","10.1021/jacs.0c12907","","","0.71073","MoKα","","0.0996","0.082","","","0.2151","0.2286","","","","","","1.126","","","","has coordinates","261502","2021-02-04","03:31:21",""
"4301276","7.0716","0.0007","10.1515","0.001","10.0344","0.001","90","","90","","90","","720.34","0.12","90","2","90","2","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C1.5 H4.13 F0.25 O3.06 P0.5 V0.5 -","- C1.5 H F0.25 O3.0625 P0.5 V0.5 -","- C12 H8 F2 O24.5 P4 V4 -","8","1","","Wayne Ouellette; Guangbin Wang; Hongxue Liu; Gordon T. Yee; Charles J. O'Connor; Jon Zubieta","The Hydrothermal and Structural Chemistry of Oxovanadium-Arylphosphonate Networks and Frameworks","Inorganic Chemistry","2009","48","","953","963","10.1021/ic801450m","","x-ray","0.71073","MoKα","","0.0637","0.0515","","","0.1213","0.128","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302645","5.6596","0.0011","6.7414","0.0013","9.0445","0.0018","90","","90","","90","","345.08","0.12","293","2","293","2","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- Au3 Rb2 Tl -","- Au3 Rb2 Tl -","- Au6 Rb4 Tl2 -","2","0.25","","Bin Li; Sung-Jin Kim; Gordon J. Miller; John D. Corbett","Gold Tetrahedra as Building Blocks in K3Au5Tr (Tr = In, Tl) and Rb2Au3Tl and in Other Compounds: A Broad Group of Electron-Poor Intermetallic Phases","Inorganic Chemistry","2009","48","","6573","6583","10.1021/ic9004856","","","0.71073","MoKα","","0.0617","0.0462","","","0.105","0.1095","","","","","","0.965","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4305632","8.642","0.002","4.3958","0.001","7.9064","0.0018","90","","90","","90","","300.35","0.12","273","2","293","2","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- Ba In4 Ir -","- Ba In4 Ir -","- Ba2 In8 Ir2 -","2","0.25","","Andriy M. Palasyuk; John D. Corbett","BaIrIn4 and Ba2Ir4In13: Two In-Rich Polar Intermetallic Structures with Different Augmented Prismatic Environments about the Cations","Inorganic Chemistry","2008","47","","9344","9350","10.1021/ic8006124","","","0.71073","MoKα","","0.024","0.0234","","","0.0578","0.0581","","","","","","1.147","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4306193","10.5936","0.0006","8.3452","0.0005","5.8271","0.0004","90","","90","","90","","515.15","0.06","298","2","298","2","","","","","","","see text","4","P m m a","-P 2a 2a","51","","","","- Li6 O11 Sr3 Ta2 -","- Li6 O11 Sr3 Ta2 -","- Li12 O22 Sr6 Ta4 -","2","0.25","","M. Bharathy; V. A. Rassolov; S. Park; H.-C. zur Loye","Crystal Growth of Two New Photoluminescent Oxides: Sr3Li6Nb2O11 and Sr3Li6Ta2O11","Inorganic Chemistry","2008","47","","9941","9945","10.1021/ic801102t","","","0.71073","MoKα","","0.049","0.0474","","","0.115","0.1158","","","","","","1.134","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4306194","10.5834","0.0015","8.3103","0.0013","5.8277","0.0008","90","","90","","90","","512.55","0.13","298","2","298","2","","","","","","","see text","4","P m m a","-P 2a 2a","51","","","","- Li6 Nb2 O11 Sr3 -","- Li6 Nb2 O11 Sr3 -","- Li12 Nb4 O22 Sr6 -","2","0.25","","M. Bharathy; V. A. Rassolov; S. Park; H.-C. zur Loye","Crystal Growth of Two New Photoluminescent Oxides: Sr3Li6Nb2O11 and Sr3Li6Ta2O11","Inorganic Chemistry","2008","47","","9941","9945","10.1021/ic801102t","","","0.71073","MoKα","","0.0396","0.0366","","","0.1165","0.1174","","","","","","1.569","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4307547","21.398","0.003","8.057","0.004","13.33","0.004","90","","90","","90","","2298.1","1.4","173","2","173","2","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C12.5 H18 Cl7 Mo1.5 N2.5 O3 -","- C12.5 H18 Cl7 Mo1.5 N2.5 O3 -","- C50 H72 Cl28 Mo6 N10 O12 -","4","0.5","","Farideh Jalilehvand; Vicky Mah; Bonnie O. Leung; Daniel Ross; Masood Parvez; Ricardo F. Aroca","Structural Characterization of Molybdenum(V) Species in Aqueous HCl Solutions","Inorganic Chemistry","2007","46","","4430","4445","10.1021/ic062047c","","","0.71073","MoKα","","0.056","0.036","","","0.086","0.098","","","","","","0.99","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4313200","8.02507","0.00014","3.83834","0.00006","7.53122","0.00013","90","","90","","90","","231.984","0.007","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","","","- Ba Fe2 O5 Y -","- Ba Fe2 O5 Y -","- Ba2 Fe4 O10 Y2 -","2","0.25","","Patrick M. Woodward; Pavel Karen","Mixed Valence in YBaFe2O5","Inorganic Chemistry","2003","42","","1121","1129","10.1021/ic026022z","powder diffraction","","","","","","","","","","","","","2.19","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4313201","8.0246","0.002","7.675","0.004","7.5396","0.0019","90","","90","","90","","464.4","0.3","","","","","","","","","","","","1","P m m a","-P 2a 2a","51","","","","- Fe -","- Fe -","- Fe8 -","8","1","","Patrick M. Woodward; Pavel Karen","Mixed Valence in YBaFe2O5","Inorganic Chemistry","2003","42","","1121","1129","10.1021/ic026022z","powder diffraction","","","","","","","","","","","","","2.19","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4313204","8.01615","0.00017","3.85239","0.00008","7.55409","0.00018","90","","90","","90","","233.28","0.009","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","","","- Ba Fe2 O5 Y -","- Ba Fe2 O5 Y -","- Ba2 Fe4 O10 Y2 -","2","0.25","","Patrick M. Woodward; Pavel Karen","Mixed Valence in YBaFe2O5","Inorganic Chemistry","2003","42","","1121","1129","10.1021/ic026022z","powder diffraction","","","","","","","","","","","","","1.18","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4313205","8.0179","0.0007","7.6953","0.0015","7.5547","0.0007","90","","90","","90","","466.13","0.11","","","","","","","","","","","","1","P m m a","-P 2a 2a","51","","","","- Fe -","- Fe -","- Fe8 -","8","1","","Patrick M. Woodward; Pavel Karen","Mixed Valence in YBaFe2O5","Inorganic Chemistry","2003","42","","1121","1129","10.1021/ic026022z","powder diffraction","","","","","","","","","","","","","1.18","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4313208","8.01407","0.0002","3.85511","0.00009","7.55766","0.00022","90","","90","","90","","233.495","0.01","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","","","- Ba Fe2 O5 Y -","- Ba Fe2 O5 Y -","- Ba2 Fe4 O10 Y2 -","2","0.25","","Patrick M. Woodward; Pavel Karen","Mixed Valence in YBaFe2O5","Inorganic Chemistry","2003","42","","1121","1129","10.1021/ic026022z","powder diffraction","","","","","","","","","","","","","1.38","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4313209","8.0151","0.0009","7.7042","0.0019","7.5566","0.0009","90","","90","","90","","466.62","0.14","","","","","","","","","","","","1","P m m a","-P 2a 2a","51","","","","- Fe -","- Fe -","- Fe8 -","8","1","","Patrick M. Woodward; Pavel Karen","Mixed Valence in YBaFe2O5","Inorganic Chemistry","2003","42","","1121","1129","10.1021/ic026022z","powder diffraction","","","","","","","","","","","","","1.38","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4315099","10.92","0.002","5.61","0.0011","10.703","0.002","90","","90","","90","","655.7","0.2","100","2","100","2","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- La2 Se9 U2 -","- La2 Se9 U2 -","- La4 Se18 U4 -","2","0.25","","Daniel E. Bugaris; Roy Copping; Tolek Tyliszczak; David K. Shuh; James A. Ibers","La2U2Se9: An Ordered Lanthanide/Actinide Chalcogenide with a Novel Structure Type","Inorganic Chemistry","2010","49","","2568","2575","10.1021/ic902503n","","","0.71073","MoKα","","0.0301","0.0264","","","0.0719","0.0741","","","","","","1.289","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4341867","7.0256","0.0011","3.5647","0.0006","9.9585","0.0016","90","","90","","90","","249.4","0.07","293","","293","","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- C3 Al Y3 -","- C3 Al Y3 -","- C6 Al2 Y6 -","2","0.25","","Kotyrba, Martin R.; Cuervo-Reyes, Eduardo; Nesper, Reinhard","Crystal Structure and Electronic Properties of Y3AlC3.","Inorganic chemistry","2015","54","3","710","712","10.1021/ic5023664","","x-ray","0.71073","MoKα","K-L~3~","0.0247","0.0208","","","0.05","0.0512","","","","","","1.038","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4347870","20.221","0.005","10.807","0.007","12.736","0.011","90","","90","","90","","2783","3","296","2","293","2","","","","","","","","9","P m m a","-P 2a 2a","51","","","","- C22 H24 Cl F12 N6 O14 P2 Pt2 Ru2 -","- C22 H24 Cl F12 N6 O14 P2 Pt2 Ru2 -","- C44 H48 Cl2 F24 N12 O28 P4 Pt4 Ru4 -","2","0.25","","Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio","Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.","Inorganic chemistry","2016","55","14","7003","7011","10.1021/acs.inorgchem.6b00741","","","0.7107","MoKα","","0.1209","0.108","","","0.2541","0.2591","","","","","","1.685","","","","has coordinates","232552","2020-10-21","18:00:00",""
"4348364","14.214","0.003","7.4339","0.0016","7.5208","0.0016","90","","90","","90","","794.7","0.3","93","2","93","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C12 H13 N5 O5 Zn2 -","- C12 H13 N5 O5 Zn2 -","- C24 H26 N10 O10 Zn4 -","2","0.25","","Qi, Xiao-Lin; Ye, Jia-Wen; Lin, Rui-Biao; Liao, Pei-Qin; Liu, Si-Yang; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming","Syntheses, structures and gas sorption properties of two coordination polymers with a unique type of supramolecular isomerism","Inorganic Chemistry Frontiers","2015","2","2","136","","10.1039/C4QI00190G","","","0.71073","MoKα","","0.0441","0.0364","","","0.0906","0.0941","","","","","","1.086","","","","has coordinates,has disorder","232887","2020-10-21","18:00:00",""
"6000235","24.7451","0.0002","8.4735","0.0006","4.8808","0.0001","90","","90","","90","","1023.39","0.08","","","298.1","1","","","","","","","","3","P m m a","","","","","","- Al14 O25 Sr4 -","- Al14 O25 Sr4 -","- Al28 O50 Sr8 -","2","0.25","","Wang, D.; Wang, M. Q.; Lu, G. L.","Synthesis, crystal structure and X-ray powder diffraction data of the phosphor matrix 4SrO . 7Al(2)O(3)","Journal of Materials Science","1999","34","","4959","4964","10.1023/A:1004759621850","","x-ray","","CuK","","","","","","","","","","","","","","","","","has coordinates","176292","2020-10-21","18:00:00",""
"7002037","6.7715","0.0004","15.2581","0.0005","14.6406","0.0007","90","","90","","90","","1512.67","0.13","200","2","200","2","","","","","","","","7","P m m a","-P 2a 2a","51","13 in manuscript","","","- C20 H22 Ag3 I3 N6 O S -","- C20 H24 Ag3 I3 N6 O S -","- C40 H48 Ag6 I6 N12 O2 S2 -","2","0.25","","Deißler, Christine; Rominger, Frank; Kunz, Doris","Controlling the coordination modes of a new and highly flexible ligand bearing two N-heterocyclic carbene moieties at a bipyridine backbone","Dalton Transactions","2009","","35","7152","","10.1039/b907041a","","","0.71073","MoKα","","0.1345","0.0881","","","0.2297","0.2641","","","","","","1.058","","","","has coordinates","179718","2020-10-21","18:00:00",""
"7045151","27.4566","0.0006","7.3683","0.0002","14.4844","0.0003","90","","90","","90","","2930.32","0.12","280","2","280","2","","","","","","","","4","P m m a","-P 2a 2a","51","","","","- C16 Fe N9 Pt -","- C16 Fe N9 Pt -","- C64 Fe4 N36 Pt4 -","4","0.5","","Liu, Fu-Ling; Li, Dong; Su, Li-Jie; Tao, Jun","Reversible three equal-step spin crossover in an iron(ii) Hofmann-type metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1407","1411","10.1039/c7dt04205a","","","1.54184","CuKα","","0.0475","0.0462","","","0.1235","0.1252","","","","","","1.066","","","","has coordinates","229459","2020-10-21","18:00:00",""
"7045153","27.494","0.0013","7.2434","0.0003","14.3883","0.0009","90","","90","","90","","2865.4","0.3","150","2","150","2","","","","","","","","4","P m m a","-P 2a 2a","51","","","","- C22 Fe N11.5 Pt -","- C22 Fe N11.5 Pt -","- C88 Fe4 N46 Pt4 -","4","0.5","","Liu, Fu-Ling; Li, Dong; Su, Li-Jie; Tao, Jun","Reversible three equal-step spin crossover in an iron(ii) Hofmann-type metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1407","1411","10.1039/c7dt04205a","","","1.54184","CuKα","","0.0725","0.0675","","","0.1775","0.1842","","","","","","1.069","","","","has coordinates","229459","2020-10-21","18:00:00",""
"7057316","20.2536","0.0005","13.1606","0.0003","7.46","0.0002","90","","90","","90","","1988.46","0.09","110","2","110","2","","","","","","","","7","P m m a","-P 2a 2a","51","","","","- C24 H58 Cu2 F12 N4 O3 Sb2 -","- C24 H58 Cu2 F12 N4 O3 Sb2 -","- C48 H116 Cu4 F24 N8 O6 Sb4 -","2","0.25","","Effaty, F.; Zsombor-Pindera, J.; Kazakova, A.; Girard, B.; Askari, M. S.; Ottenwaelder, X.","Ligand and electronic effects on copper‒arylnitroso self-assembly","New Journal of Chemistry","2018","42","10","7758","","10.1039/C8NJ00894A","","","0.71073","MoKα","","0.0348","0.0249","","","0.0783","0.1033","","","","","","1.191","","","","has coordinates","230200","2020-10-21","18:00:00",""
"7108438","7.102","0.003","15.819","0.007","18.669","0.009","90","","90","","90","","2097.4","1.6","293","2","293","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C29 H47 Cu N13 O9 -","- C21 H12 Cu N13 O -","- C42 H24 Cu2 N26 O2 -","2","0.25","","Gao-Chao Lv; Peng Wang; Qing Liu; Jian Fan; Kai Chen; Wei-Yin Sun","Unprecedented crystal dynamics: reversible cascades of single-crystal-to-single-crystal transformations","Chem.Commun.","2012","48","","10249","","10.1039/c2cc35456j","","","0.71073","MoKα","","0.0865","0.0761","","","0.2195","0.2337","","","","","","0.892","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108441","7.067","0.002","15.675","0.005","18.811","0.007","90","","90","","90","","2083.8","1.2","293","2","293","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C29 H45 Cu N13 O8 -","- C22 H12 Cu N13 O -","- C44 H24 Cu2 N26 O2 -","2","0.25","","Gao-Chao Lv; Peng Wang; Qing Liu; Jian; Fan; Kai Chen; Wei-Yin Sun","Unprecedented crystal dynamics: reversible cascades of single-crystal-to-single-crystal transformations","Chem.Commun.","2012","48","","10249","","10.1039/c2cc35456j","","","0.71073","MoKα","","0.0718","0.0496","","","0.124","0.1291","","","","","","0.874","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7115211","15.879","0.003","10.122","0.003","7.1085","0.0014","90","","90","","90","","1142.5","0.5","293","2","293","2","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C10 H24 Br5 Mn O7 Tl -","- C10 H21 Br5 Mn O7 Tl -","- C20 H42 Br10 Mn2 O14 Tl2 -","2","0.25","","Reid, Howard O. N.; Kahwa, Ishenkumba A.; White, Andrew J. P.; Williams, David J.","Seven-coordinate Mn2+ ions in [Mn(15-crown-5)(H2O)2]2+ as luminescent probes for dynamic supramolecular events†","Chemical Communications","1999","","16","1565","","10.1039/a903808f","","","0.71073","MoKα","","0.0774","0.0543","","0.1471","0.1317","","","","1.044","1.097","1.097","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116033","19.6991","0.0018","15.8057","0.0015","12.8041","0.0012","90","","90","","90","","3986.7","0.6","90","2","90","2","","","","","","","","6","P m m a","-P 2a 2a","51","{(C72","(3)","","- C143 H20 N2 O8 Rh2 S2 -","- C143 H20 N2 O8 Rh2 S2 -","- C286 H40 N4 O16 Rh4 S4 -","2","0.25","","Amineh Aghabali; Marilyn M. Olmstead; Alan L. Balch","Zipping up fullerenes into polymers using rhodium(II) acetate dimer and N(CH2CH2)2NC60 as building blocks","Chem.Commun.","2014","50","","15152","","10.1039/C4cc06995A","","","0.71073","MoKα","","0.1269","0.1133","","","0.3356","0.3567","","","","","","1.583","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7117500","9.9653","","7.5717","","9.3031","","90","","90","","90","","701.959","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Rb2.69 Al2.6 Si9.4 O24","","- Al2.6 O24 Rb2.69 Si9.4 -","- Al2.6004 O24 Rb2.69 Si9.3996 -","- Al2.6004 O24 Rb2.69 Si9.3996 -","1","0.125","","Ikeda, T.; Itabashi, K.","RMA-3: Synthesis and structure of a novel Rb-C zeolite","Chemical Communications","2005","2005","","2753","2755","","","","","","","","","","","","","","","","","","","","","","has coordinates","151044","2020-10-21","18:00:00",""
"7118920","21.0329","0.0015","12.5972","0.0009","12.0333","0.0008","90","","90","","90","","3188.3","0.4","100","0.1","100","0.1","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C17.09 H116.4 Br N O38 -","- C17.0779 H85.3136 Br N4 O38 -","- C34.1558 H170.627 Br2 N8 O76 -","2","0.25","","Muromachi, Sanehiro; Udachin, Konstantin A.; Alavi, Saman; Ohmura, Ryo; Ripmeester, John A.","Selective occupancy of methane by cage symmetry in TBAB ionic clathrate hydrate.","Chemical communications (Cambridge, England)","2016","52","32","5621","5624","10.1039/c6cc00264a","","","0.7107","MoKα","","0.0592","0.0549","","","0.1649","0.167","","","","","","1.175","","","","has coordinates,has disorder","182610","2020-10-21","18:00:00",""
"7210956","8.3121","0.0014","12.843","0.002","10.0096","0.0017","90","","90","","90","","1068.5","0.3","298","2","298","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C6 H5 Cu2 I2 N2 -","- C6 H5 Cu2 I2 N2 -","- C24 H20 Cu8 I8 N8 -","4","0.5","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0254","0.0229","","","0.0631","0.065","","","","","","1.045","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7213696","21.065","0.005","12.657","0.003","11.992","0.003","90","","90","","90","","3197.3","1.3","100","3","100","3","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C16 H112 Br O38 P -","- C16 H102.5 Br O38 P -","- C32 H205 Br2 O76 P2 -","2","0.25","","Muromachi, Sanehiro; Takeya, Satoshi; Yamamoto, Yoshitaka; Ohmura, Ryo","Characterization of tetra-n-butylphosphonium bromide semiclathrate hydrate by crystal structure analysis","CrystEngComm","2014","16","10","2056","","10.1039/c3ce41942h","","","0.7107","MoKα","","0.0715","0.0646","","","0.1858","0.1899","","","","","","1.119","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7222643","17.8348","","13.4135","","9.2142","","90","","90","","90","","2204.29","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Rb (Nb6 Cl15)","","- Cl15 Nb6 Rb -","- Cl15 Nb6 Rb -","- Cl60 Nb24 Rb4 -","4","0.5","","Naegele, A.; Day, C.; Lachgar, A.; Meyer, H.J.","Interpenetrierende Clusterstraenge in der Kristallstruktur von K0.77 Nb6 Cl15","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1238","1240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222644","17.801","","13.4143","","9.2551","","90","","90","","90","","2210.01","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","K0.77 (Nb6 Cl15)","","- Cl15 K0.77 Nb6 -","- Cl15 K0.768 Nb6 -","- Cl60 K3.072 Nb24 -","4","0.5","","Naegele, A.; Day, C.; Meyer, H.J.; Lachgar, A.","Interpenetrierende Clusterstraenge in der Kristallstruktur von K0.77 Nb6 Cl15","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1238","1240","","","","","","","","","","","","","","","","","","","","","","has coordinates","163309","2020-10-21","18:00:00",""
"7222645","17.8948","","13.4397","","9.2437","","90","","90","","90","","2223.12","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Cs (Nb6 Cl15)","","- Cl15 Cs Nb6 -","- Cl15 Cs0.995 Nb6 -","- Cl60 Cs3.98 Nb24 -","4","0.5","","Naegele, A.; Day, C.; Lachgar, A.; Meyer, H.J.","Interpenetrierende Clustergaenge in der Kristallstruktur von K0.77 Nb6 Cl15","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1238","1240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7226509","7.2488","0.001","6.2654","0.0008","10.1326","0.0013","90","","90","","90","","460.19","0.1","296","2","296","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C7 H6 Hg N6 O2 -","- C7 H6 Hg N6 O2 -","- C14 H12 Hg2 N12 O4 -","2","0.25","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0432","0.0431","","","0.1065","0.1067","","","","","","1.001","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7229240","7.1293","0.0014","11.442","0.002","8.2387","0.0016","90","","90","","90","","672.1","0.2","293","2","293","2","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C11 H9 Cl Co N6 O3 -","- C11 H7 Cl Co N6 O3 -","- C22 H14 Cl2 Co2 N12 O6 -","2","0.25","","Jiang, Wen-Hong; Zhang, Han-Zhong; Hou, Guang-Feng; Ma, Dong-Sheng; Liu, Bin; Yu, Ying-Hui","Five Co(ii) coordination polymers with different counter anions based on [3,5-di(4H-1,2,4-triazol-4-yl)benzoato]− ligand: directed synthesis, structures and magnetic properties","RSC Adv.","2017","7","72","45641","","10.1039/C7RA07089F","","","0.71073","MoKα","","0.0325","0.0297","","","0.0784","0.0803","","","","","","1.078","","","","has coordinates","201255","2020-10-21","18:00:00",""
"7244908","13.529","0.001","6.8257","0.0005","3.9372","0.0002","90","","90","","90","","363.58","0.04","305.38","0.1","305.38","0.1","","","","","","","","6","P m m a","-P 2a 2a","51","","[HImidazole](NbOF4)","","- C3 H5 F4 N2 Nb O -","- C3 H5 F4 N2 Nb O -","- C6 H10 F8 N4 Nb2 O2 -","2","0.25","","Feng, Yan; Wang, Ze-Jie; Li, Long-He; Liao, Rong-Meng; Hu, Zhao-Bo; Li, Jian-Rong; Shi, Chao; Ye, Heng-Yun","Structural Phase Transition and Switchable Dielectric Behaviour of a One-Dimensional Chains Niobium Oxyfluoride","CrystEngComm","2022","","","","","10.1039/D2CE00428C","","x-ray","0.71073","MoKα","","0.0429","0.0374","","","0.0929","0.0972","","","","","","1.193","","","","has coordinates,has disorder","275307","2022-05-10","22:30:49",""
"7245198","21.0695","0.001","12.6077","0.0006","12.0415","0.0006","90","","90","","90","","3198.7","0.3","90","0.16","90","0.16","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C3.65 H16.27 Br0.21 N0.22 O9.66 -","- C3.8998 H25.4616 Br0.219625 N0.2294 O9.62957 -","- C31.1984 H203.693 Br1.757 N1.8352 O77.0366 -","8","1","","Muromachi, Sanehiro; Kida, Masato; Morimoto, Masato; Yamane, Shogo; Takeya, Satoshi","Designing the structure and relevant properties of semiclathrate hydrates by partly asymmetric alkylammonium salts","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP02625B","","x-ray","0.71073","MoKα","","0.0748","0.0493","","","0.1117","0.1188","","","","","","1.083","","","","has coordinates,has disorder","276878","2022-07-23","02:44:34",""
"7245199","21.0695","0.001","12.6077","0.0006","12.0415","0.0006","90","","90","","90","","3198.7","0.3","90","0.16","90","0.16","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C3.65 H16.27 Br0.21 N0.22 O9.66 -","- C4.25 H18.9088 Br0.218475 N0.25 O9.696 -","- C34 H151.27 Br1.7478 N2 O77.568 -","8","1","","Muromachi, Sanehiro; Kida, Masato; Morimoto, Masato; Yamane, Shogo; Takeya, Satoshi","Designing the structure and relevant properties of semiclathrate hydrates by partly asymmetric alkylammonium salts","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP02625B","","x-ray","0.71073","MoKα","","0.0825","0.0573","","","0.1549","0.1639","","","","","","1.105","","","","has coordinates,has disorder","276878","2022-07-23","02:44:35",""
"7245742","23.6915","0.0011","9.7624","0.0003","9.9066","0.0004","90","","90","","90","","2291.26","0.16","313","2","313","2","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C28 H56 Eu K N12 O24 -","- C26 Eu K N14 O24 -","- C52 Eu2 K2 N28 O48 -","2","0.25","","Li, Duo-Fu; Guo, Feng; He, Xiao-Li; Wu, Yao-Zhen; Deng, Xiang-Hong; Yang, Kang-Ping; Sui, Yan; Li, Yongxiu","A Layered Hybrid Rare-Earth Double Perovskite with Two Continuous Reversible Phase Transitions Induced By Unusual Two Driving Gears of Fan-Like Rotation Movements","CrystEngComm","2022","","","","","10.1039/D2CE01297A","","","0.71073","MoKα","","0.0654","0.0549","","","0.1426","0.1523","","","","","","1.057","","","","has coordinates,has disorder","278884","2022-11-01","08:47:32",""
"7703161","11.6989","0.0003","15.373","0.0004","18.3406","0.0006","90","","90","","90","","3298.51","0.16","300","2","300","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C13.5 H N O2 Zn0.5 -","- C13.5 H N O2 Zn0.5 -","- C108 H8 N8 O16 Zn4 -","8","1","","Ye, Yu; Du, Jianfeng; Sun, Libo; Liu, Yuchuan; Wang, Shun; Song, Xiaowei; Liang, Zhiqiang","Two zinc metal-organic framework isomers based on pyrazine tetracarboxylic acid and dipyridinylbenzene for adsorption and separation of CO<sub>2</sub> and light hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1135","1142","10.1039/c9dt04305e","","","0.71073","MoKα","","0.0553","0.0491","","","0.1609","0.1687","","","","","","1.128","","","","has coordinates","247714","2020-10-21","18:00:00",""
"7711433","29.949","0.0005","12.2649","0.0002","21.5496","0.0004","90","","90","","90","","7915.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C60 H136 Cl11 Eu15 N12 O86 -","- C60 H136 Cl11 Eu15 N12 O86 -","- C120 H272 Cl22 Eu30 N24 O172 -","2","0.25","","Zou, Ying; Lv, Wei; Xue, Zhe; Pan, Jie; Li, Xiao-Yu; Wang, Guo-Ming","The pentagram-typed Ln15 (Ln=Dy, Tb, Eu, Sm, Ho) clusters with different anion templates: magnetic and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT02712G","","x-ray","1.54184","CuKα","","0.1089","0.1036","","","0.2711","0.2758","","","","","","1.042","","","","has coordinates,has disorder","278371","2022-10-05","22:39:05",""
"7711434","30.0081","0.0009","12.3183","0.0003","21.6051","0.0006","90","","90","","90","","7986.3","0.4","293","2","293","2","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C60 H144 Cl12 N10 O80 Sm15 -","- C60 H144 Cl12 N10 O80 Sm15 -","- C120 H288 Cl24 N20 O160 Sm30 -","2","0.25","","Zou, Ying; Lv, Wei; Xue, Zhe; Pan, Jie; Li, Xiao-Yu; Wang, Guo-Ming","The pentagram-typed Ln15 (Ln=Dy, Tb, Eu, Sm, Ho) clusters with different anion templates: magnetic and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT02712G","","x-ray","0.71073","MoKα","","0.1124","0.0863","","","0.227","0.2631","","","","","","1.134","","","","has coordinates,has disorder","278371","2022-10-05","22:39:05",""
"8102254","7.1346","0.0017","10.649","0.003","7.34","0.0018","90","","90","","90","","557.7","0.2","291","2","291","2","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C4 H4 Cu N6 O6 S2 -","- C4 H4 Cu N6 O6 S2 -","- C8 H8 Cu2 N12 O12 S4 -","2","0.25","","Pu-Zhou Hu; Jian-Hua Qin; Jian-Ge Wang; Bang-Tun Zhao","Crystal structure of catena-(1,3,4-thiadiazole)copper(II)-(m-nitrato) nitrate, [Cu(C2H2N2S)2(NO3)][NO3]","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","2","129","","","","","0.71073","MoKα","","0.0434","0.0385","","","0.0992","0.1037","","","","","","1.107","","","","has coordinates","211175","2020-10-21","18:00:00",""
"9001421","5.867","","8.917","","8.362","","90","","90","","90","","437.467","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","","Spinelloid","- Fe2.68 O4 Si0.32 -","- Fe2.68 O4 Si0.32 -","- Fe16.08 O24 Si1.92 -","6","0.75","","Ross, C. R.; Armbruster, T.; Canil, D.","Crystal structure refinement of a spinelloid in the system Fe3O4-Fe2SiO4","American Mineralogist","1992","77","","507","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9009986","8.3212","","2.9377","","4.6644","","90","","90","","90","","114.022","","","","","","","","","","","","near Nice, France","4","P m m a","-P 2a 2a","51","","","Theoparacelsite","- As0.667 Cu H2.752 O3 -","- As0.66667 Cu H0.66666 O3 -","- As1.33334 Cu2 H1.33332 O6 -","2","0.25","","Sarp H; Cerny R","Theoparacelsite, Cu3(OH)2As2O7, a new mineral: its description and crystal structure","Archives des Sciences, Geneve","2001","54","","7","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9016918","9.059","","2.659","","9.166","","90","","90","","90","","220.79","","","","","","","","61000000","","","","Synthetic","3","P m m a","-P 2a 2a","51","","","Ulvospinel","- Fe2 O4 Ti -","- Fe8 O16 Ti4 -","- Fe8 O16 Ti4 -","","","","Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Meng, Y.; Kharlamova, S.; Struzhkin, V. V.; Mao, H.","High-pressure phase transitions of Fe3-xTixO4 solid solution up to 60 GPa correlated with electronic spin transition Note: P = 61 GPa","American Mineralogist","2013","98","","736","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:47:50",""
"9017211","5.42","","11.064","","5.5383","","90","","90","","90","","332.115","","","","","","","","","","","","Hatrurim Basin, Israel","5","P m m a","-P 2a 2a","51","","","Shulamitite","- Al0.824 Ca3 Fe1.176 O8 Ti -","- Al1.648 Ca6 Fe2.352 O16 Ti2 -","- Al1.648 Ca6 Fe2.352 O16 Ti2 -","","","","Sharygin, V. V.; Lazic, B.; Armbruster, T. M.; Murashko, M. N.; Wirth, R.; Galuskina, I. O.; Galuskin, E. V.; Vapnik, Y.; Britvin, S. N.; Logvinova, A. M.","Shulamitite Ca3TiFe3+AlO8 - a new perovskite-related mineral from Hatrurim Basin, Israel","European Journal of Mineralogy","2013","25","","97","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:48",""
"9017829","9.827","","9.167","","4.799","","90","","90","","90","","432.314","","","","","","","","","","","","Khibiny mountain range, Kolsky Peninsula, Russia","5","P m m a","-P 2a 2a","51","","","Paranatisite","- H Na4 O10 Si2 Ti1.75 -","- H Na4 O10 Si2 Ti1.75 -","- H2 Na8 O20 Si4 Ti3.5 -","2","0.25","","Sokolova, E. V.; Yamnova, N. A.; Egorov-Tismenko Y K; Khomyakov, A. P.","Crystal structure of a new mineral Na8Ti3.5O2(OH)2[SiO4]4 - a polymorphous modification of natisite","Soviet Physics Doklady","1985","30","","822","825","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017897","5.802","","2.905","","8.411","","90","","90","","90","","141.766","","","","","","","","","","","","Suizhou L6 chondrite","4","P m m a","-P 2a 2a","51","","","Poirierite","- Fe0.038 Mg1.962 O4 Si -","- Fe0.076 Mg3.924 O8 Si2 -","- Fe0.076 Mg3.924 O8 Si2 -","","","","Tomioka, N.; Bindi, L.; Okuchi, T.; Miyahara, M.; Iitaka, T.; Li, Z.; Kawatsu, T.; Xie, X.; Purevjav, N.; Tani, R.; Kodama, Y.","Poirierite, a dense metastable polymorph of magnesium iron silicate in shocked meteorites","Communications Earth & Environment","2021","2","","","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""