# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T17:16:03+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'A m m 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1001725","3.778","0.001","15.244","0.001","17.67699","0.001","90","","90","","90","","1018.1","","","","","","","","","","","","","5","A m m 2","A 2 -2","38","","Thallium chromate strontium coppper oxide (3/1/8/4/16)","","- Cr Cu4 O20 Sr8 Tl3 -","- Cr Cu4 O20 Sr8 Tl3 -","- Cr2 Cu8 O40 Sr16 Tl6 -","2","0.25","","Martin, C; Letouze, F; Maignan, A; Seshadri, R; Michel, C; Hervieu, M; Raveau, B","The superconducting copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16 : long- range ordering between thallium and chromium","Chemistry of Materials (1,1989-","1996","8","","865","873","10.1021/cm950473i","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001822","3.7865","0.0001","15.854","0.0004","7.654","0.0002","90","","90","","90","","459.5","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Strontium manganese(III) boron oxide (4/3.2/0.8/10)","","- B0.8 Mn3.2 O10 Sr4 -","- B0.8 Mn3.2 O10 Sr4 -","- B1.6 Mn6.4 O20 Sr8 -","2","0.25","","Pelloquin, D; Hervieu, M; Michel, C; Nguyen, N; Raveau, B","A new manganese oxyborate, Sr4 Mn3 (B1-x Mnx) O10, closely related to the perovskite structure type","Journal of Solid State Chemistry","1997","134","","395","408","10.1006/jssc.1997.7612","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508068","12.297","0.001","9.9506","0.001","29.05","0.003","90","","90","","90","","3554.6","0.6","370","","370","","","","","","","","","4","A m m 2","A 2 -2","38","","","","- C60 Cl6 Li Sb -","- C60 Cl6 Li Sb -","- C240 Cl24 Li4 Sb4 -","4","0.5","","Aoyagi, Shinobu; Nishibori, Eiji; Sawa, Hiroshi; Sugimoto, Kunihisa; Takata, Masaki; Miyata, Yasumitsu; Kitaura, Ryo; Shinohara, Hisanori; Okada, Hiroshi; Sakai, Takeshi; Ono, Yoshihiro; Kawachi, Kazuhiko; Yokoo, Kuniyoshi; Ono, Shoichi; Omote, Kenji; Kasama, Yasuhiko; Ishikawa, Shinsuke; Komuro, Takashi; Tobita, Hiromi","A layered ionic crystal of polar Li@C(60) superatoms.","Nature chemistry","2010","2","8","678","683","10.1038/nchem.698","","","0.3525","synchrotron","","0.0629","0.0469","","","0.1349","0.1451","","","","","","1.021","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509917","7.409","","11.143","","6.258","","90","","90","","90","","516.651","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Ag5 (P S4) Cl2","","- Ag5 Cl2 P S4 -","- Ag5 Cl2 P S4 -","- Ag10 Cl4 P2 S8 -","2","0.25","","Mewis, A.; Joergens, S.","Ag5 P S4 Cl2 and Ag15 (P S4)4 Cl3 - crystal structures and their relation to Ag3 P S4","Solid State Sciences","2007","9","","213","217","10.1016/j.solidstatesciences.2006.09.003","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510476","4.684","","8.482","","4.81","","90","","90","","90","","191.1","","","","","","","","","","","","","2","A m m 2","A 2 -2","38","","","","- Au2 V -","- Au2 V -","- Au8 V4 -","4","0.5","","Schubert, K.; Stolz, E.","Strukturuntersuchungen in einigen zu T4-B1 homologen und quasihomologen Systemen","Zeitschrift fuer Metallkunde","1962","53","","433","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510507","23.59","","5.74","","19.83","","90","","90","","90","","2685.11","","","","","","","","","","","","","2","A m m 2","A 2 -2","38","","","","- Au3 Mg -","- Au3 Mg -","- Au120 Mg40 -","40","5","","Burkhardt, K.; Schubert, K.","Ueber die Strukturen einiger Phasen in der Naehe der Zusammensetzung Au3 Mg","Zeitschrift fuer Metallkunde","1965","56","","864","870","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521131","3.8257","","12.4668","","7.2964","","90","","90","","90","","347.996","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Tb Ni Al D1.04","","- Al D1.04 Ni Tb -","- Al D1.04 Ni Tb -","- Al6 D6.24 Ni6 Tb6 -","6","0.75","","Hauback, B.C.; Palhaugen, L.; Fjellvag, H.; Yartys', V.A.; Yvon, K.","Crystal and magnetic structure of Tb Ni Al - based deuterides, Tb Ni Al D0.3 and Tb Ni Al D1.04, studied by neutron diffraction and synchrotron radiation","Journal of Alloys Compd.","1999","293","","178","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522913","4.3552","","4.4039","","22.044","","90","","90","","90","","422.801","","","","","","","","","","","","","2","A m m 2","A 2 -2","38","","","","- Gd Sn3 -","- Gd Sn3 -","- Gd4 Sn12 -","4","0.5","","Skolozdra, R.V.; Pecharskii, V.K.; Aksel'rud, L.G.; Koretskaya, O.E.","Two crystal structures in the Gd - Sn system","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1986","1986","","51","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523063","4.32","","5.42","","9.276","","90","","90","","90","","217.192","","","","","","","","","","","","","2","A m m 2","A 2 -2","38","","","","- Rh5 V3 -","- Rh5 V3 -","- Rh10 V6 -","2","0.25","","Waterstrat, R.M.; Dickens, B.","The crystal structure of V3 Rh5","Journal of the Less-Common Metals","1973","31","","61","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524452","15.333","","4.577","","11.018","","90","","90","","90","","773.234","","","","","","","","","","","","","2","A m m 2","A 2 -2","38","","","","- Eu3 Ga5 -","- Eu3 Ga5 -","- Eu12 Ga20 -","4","0.5","","Grin', Yu.; Yatsenko, S.P.; Fedorova, E.G.; Sabirzyanov, N.A.; Sichevich, O.M.; Yarmolyuk, Ya.P.","Die Kristallstruktur von Eu3 Ga5","Journal of the Less-Common Metals","1987","136","","55","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524607","4.324","","19.08","","4.724","","90","","90","","90","","389.739","","","","","","","","","","","","","2","A m m 2","A 2 -2","38","","","","- Cu11 Sb3 -","- Cu11 Sb3 -","- Cu22 Sb6 -","2","0.25","","Jandali, M.Z.; Rajasekharan, T.; Schubert, K.","Crystal structure of Au10 In3","Zeitschrift fuer Metallkunde","1982","73","","354","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526310","3.815","","26.3189","","6.511","","90","","90","","90","","653.747","","","","","","","","","","","","","3","A m m 2","A 2 -2","38","","Zr5 Pd9 P7","","- P7 Pd9 Zr5 -","- P7 Pd9 Zr5 -","- P14 Pd18 Zr10 -","2","0.25","","Heerdmann, A.; Mewis, A.; Johrendt, D.","Palladiumpnictide des Zirconiums und Hafniums mit einem Metall: Nichtmetall-Verhaeltnis von 2:1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1393","1399","","","","","","","","","","","","","","","","","","","","","","has coordinates","147459","2020-10-21","18:00:00",""
"1526312","3.776","","26.382","","6.5","","90","","90","","90","","647.52","","","","","","","","","","","","","3","A m m 2","A 2 -2","38","","Hf5 Pd9 P7","","- Hf5 P7 Pd9 -","- Hf5 P7 Pd9 -","- Hf10 P14 Pd18 -","2","0.25","","Heerdmann, A.; Johrendt, D.; Mewis, A.","Palladiumpnictide des Zirconiums und Hafniums mit einem Metall:Nichtmetall-Verhaeltnis von 2:1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1393","1399","","","","","","","","","","","","","","","","","","","","","","has coordinates","147461","2020-10-21","18:00:00",""
"1531157","3.6689","","12.3714","","7.6583","","90","","90","","90","","347.606","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Tb Ni Al D1.23","","- Al D1.23 Ni Tb -","- Al D1.22867 Ni Tb -","- Al6 D7.372 Ni6 Tb6 -","6","0.75","","Brinks, H.W.; Yartys', V.A.; Fjellvag, H.; Hauback, B.C.","Structure and magnetic properties of (Tb Ni Al)-based deuterides","Journal of Alloys Compd.","2002","330","","169","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533266","4.01","","3.947","","20.958","","90","","90","","90","","331.712","","","","","","","","","","","","","3","A m m 2","A 2 -2","38","","Y Ni Si3","","- Ni Si3 Y -","- Ni Si3 Y -","- Ni4 Si12 Y4 -","4","0.5","","Yarovets, V.I.","The crystal structure of Y Ni Si3 compound","Vestn. L'vov. Un-ta. Ser. Khim.","1977","1977","","30","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540302","4.0756","","4.2152","","21.5408","","90","","90","","90","","370.06","","","","","","","","","","","","","3","A m m 2","A 2 -2","38","","","","- Ce2 Cu Ge6 -","- Ce2 Cu Ge6 -","- Ce4 Cu2 Ge12 -","2","0.25","","Konyk, M.B.; Salamakha, P.S.; Bodak, O.I.; Pecharskii, V.K.","Crystal structue of Cu2 Cu Ge6","Soviet Physics, Crystallography (= Kristallografiya)","1988","33","","494","495","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540777","3.552","","4.49","","6.018","","90","","90","","90","","95.978","","","","","","","","","","","","","3","A m m 2","A 2 -2","38","","Dy Ni C2","","- C2 Dy Ni -","- C2 Dy Ni -","- C4 Dy2 Ni2 -","2","0.25","","Yakinthos, J.K.; Reimers, W.; Kotsanidis, P.A.; Schaefer, W.; Will, G.; Kockelmann, W.","The two-component non-collinear antiferromagnetic structures of Dy Ni C2 and Ho Ni C2","Journal of Magnetism and Magnetic Materials","1994","136","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540778","3.53","","4.486","","6.014","","90","","90","","90","","95.235","","","","","","","","","","","","","3","A m m 2","A 2 -2","38","","Ho Ni C2","","- C2 Ho Ni -","- C2 Ho Ni -","- C4 Ho2 Ni2 -","2","0.25","","Yakinthos, J.K.; Kotsanidis, P.A.; Will, G.; Schaefer, W.; Kockelmann, W.; Reimers, W.","The two-component non-collinear antiferromagnetic structures of Dy Ni C2 and Ho Ni C2","Journal of Magnetism and Magnetic Materials","1994","136","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541393","12.525","","11.391","","22.053","","90","","90","","90","","3146.35","","","","","","","","","","","","","6","A m m 2","A 2 -2","38","","(Si O2)56 (((C H3)3 N (C H2)6 N (C H3)3) F2)2 (H2 O)4","","- C24 H68 F4 N4 O116 Si56 -","- C24 H60 F4 N4 O116 Si56 -","- C24 H60 F4 N4 O116 Si56 -","1","0.125","","Corma, A.; Puche, M.; Teat, S.J.; Rey, F.; Sankar, G.","A zeolite structure (ITQ-13) with three sets of medium-pore crossing channels formed by 9- and 10-rings","Angew. Chem. Int. ed.","2003","42","","1156","1159","","","","","","","","","","","","","","","","","","","","","","has coordinates","172706","2020-10-21","18:00:00",""
"1541780","4.143","","51.532","","6.74","","90","","90","","90","","1438.97","","","","","","","","","","","","","2","A m m 2","A 2 -2","38","","U13 O34","","- O34 U13 -","- O34 U13 -","- O68 U26 -","2","0.25","","Kovba, L.M.; Komarevtseva, N.I.; Kuz'mitcheva, E.U.","On the Crystal Structures of U13 O34 and delta-U2 O5","Radiokhimiya","1979","21","","754","757","","","","","","","","","","","","","","","","","","","","","","has coordinates","173263","2020-10-21","18:00:00",""
"1567997","6.0662","0.0001","6.7946","0.0001","13.7817","0.0003","90","","90","","90","","568.046","0.018","137","6","137","6","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C2 H2 I2 O4 Pb Rb2 -","- C2 H2 I2 O4 Pb Rb2 -","- C4 H4 I4 O8 Pb2 Rb4 -","2","0.25","","Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao","New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy.","Chemical science","2022","14","1","136","142","10.1039/d2sc05216d","","x-ray","1.3405","GaKα","","0.0186","0.0185","","","0.0421","0.0421","","","","","","1.128","","","","has coordinates","281340","2023-03-04","17:46:37",""
"1567998","5.8024","0.0001","6.774","0.0002","13.626","0.0004","90","","90","","90","","535.58","0.02","293","2","293","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C2 H2 I2 K2 O4 Pb -","- C2 H2 I2 K2 O4 Pb -","- C4 H4 I4 K4 O8 Pb2 -","2","0.25","","Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao","New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy.","Chemical science","2022","14","1","136","142","10.1039/d2sc05216d","","x-ray","1.3405","GaKα","","0.0193","0.0193","","","0.0465","0.0465","","","","","","1.088","","","","has coordinates","281340","2023-03-04","17:46:37",""
"1568981","3.99152","0.00002","5.8223","0.00003","5.86394","0.00003","90","","90","","90","","136.277","0.0012","","","300","","","","100","","","","","3","A m m 2","A 2 -2","38","RbNbO3 orthorhombic perovskite","","","- Nb O3 Rb -","- Nb O3 Rb -","- Nb2 O6 Rb2 -","2","0.25","","Fukuda, M.; Yamaura, K.","Experimental studies on crystal structures and phase transitions in perovskite-type RbNbO3 : At 300 K","Journal of the Ceramic Society of Japan","2023","131","","126","129","10.2109/jcersj2.23012","","","","","","","","","","","","","","","","","","","","","has coordinates","286635","2023-10-03","02:58:47",""
"2002323","3.905","0.001","10.203","0.002","14.954","0.002","90","","90","","90","","595.8","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Tetrabarium cobalt decatantalum oxide","","- Ba4 Co O30 Ta10 -","- Ba4 Co O30 Ta10 -","- Ba4 Co O30 Ta10 -","1","0.125","","Jasper-Toennies, B; Mueller-Buschbaum, Hk","Ein neues Oxotantalat mit bronzeaehnlicher Kristallstruktur: Ba4 Co Ta10 O30","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1984","115","","1151","1157","10.1007/BF00809346","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002363","3.906","0.011","10.201","0.08","14.99","0.047","90","","90","","90","","597.3","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Barium Iron Tantalum oxide (4/1/10/30)","","- Ba4 Fe O30 Ta10 -","- Ba4 Fe O30 Ta10 -","- Ba4 Fe O30 Ta10 -","1","0.125","","Brandt, R; Mueller-Buschbaum, Hk","Ba4 Fe Ta10 O30, eine neue Verbindung mit Verwandtschaft zum Na Nb6 O15 F-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","542","","18","24","10.1002/zaac.19865421104","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002368","3.9001","0.0011","10.2225","0.0022","14.9737","0.0033","90","","90","","90","","597","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Barium magnesium tantalum oxide (4/1/10/30)","","- Ba4 Mg O30 Ta10 -","- Ba4 Mg O30 Ta10 -","- Ba4 Mg O30 Ta10 -","1","0.125","","Brandt, R; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba4 Mg Ta10 O30 und Ba4 Ni Ta10 O30 Verbindungen mit Verwandtschaft zur tetragonalen Wolfram Bronze und zu Na Nb6 O15 F - Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","551","","13","20","10.1002/zaac.19875510803","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002369","3.911","0.0014","10.2","0.0026","14.955","0.0041","90","","90","","90","","596.6","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Barium nickel tantalum oxide (4/1/10/30)","","- Ba4 Ni O30 Ta10 -","- Ba4 Ni O30 Ta10 -","- Ba4 Ni O30 Ta10 -","1","0.125","","Brandt, R; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba4 Mg Ta10 O30 und Ba4 Ni Ta10 O30 Verbindungen mit Verwandtschaft zur tetragonalen Wolfram Bronze und zu Na Nb6 O15 F - Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","551","","13","20","10.1002/zaac.19875510803","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003116","3.6097","0.0004","18.632","0.002","7.289","0.001","90","","90","","90","","490.23","0.1","293","2","293","2","","","","","","","","3","A m m 2","A 2 -2","38","","","","- C19 Er10 Ru10 -","- C19 Er10 Ru10 -","- C19 Er10 Ru10 -","1","0.125","SH0107","Hoffmann, R.-D.; Jeitschko, W.","The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~","Acta Crystallographica Section B","1998","54","6","834","850","10.1107/S0108768198004984","","","0.71073","MoKα","","0.0652","0.0501","","0.133","0.0682","","","","3.614","3.746","3.746","","","","","has coordinates","175462","2020-10-21","18:00:00",""
"2003117","3.6097","0.0004","18.632","0.002","7.289","0.001","90","","90","","90","","490.23","0.1","293","2","293","2","","","","","","","","3","A m m 2","A 2 -2","38","","","","- C19 Er10 Ru10 -","- C19 Er10 Ru10 -","- C19 Er10 Ru10 -","1","0.125","SH0107","Hoffmann, R.-D.; Jeitschko, W.","The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~","Acta Crystallographica Section B","1998","54","6","834","850","10.1107/S0108768198004984","","","0.71073","MoKα","","0.0427","0.031","","0.0632","0.0606","","","","1.287","1.28","1.28","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2003119","37.264","0.004","7.219","0.002","14.578","0.002","90","","90","","90","","3921.6","1.3","293","2","293","2","","","","","","","","3","A m m 2","A 2 -2","38","","","","- C19 Er10 Ru10 -","- C19.5695 Er10.3 Ru10.206 -","- C156.556 Er82.4 Ru81.648 -","8","1","SH0107","Hoffmann, R.-D.; Jeitschko, W.","The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~","Acta Crystallographica Section B","1998","54","6","834","850","10.1107/S0108768198004984","","","0.71073","MoKα","","0.1218","0.0745","","0.0285","0.0271","","","","4.819","5.992","5.992","","","","","has coordinates,has disorder","277834","2022-09-14","16:39:43",""
"2106981","4.136","","11.816","","6.822","","90","","90","","90","","333.398","","","","","","","","","","","","","2","A m m 2","A 2 -2","38","","U3 O8","","- O8 U3 -","- O8 U3 -","- O16 U6 -","2","0.25","","Herak, R.","The Crystal Structure of the High Temperature Modification of U3 O8","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2505","2508","","","","","","","","","","","","","","","","","","","","","","has coordinates","165540","2020-10-21","18:00:00",""
"2220901","19.751","0.003","10.904","0.003","5.092","0.002","90","","90","","90","","1096.6","0.6","292","2","292","2","","","","","","","","4","A m m 2","A 2 -2","38","","2,2'-Dimethyl-4,4'-(sulfonyldi-<i>p</i>-phenylene)dibut-3-yn-2-ol dihydrate","","- C22 H26 O6 S -","- C22 H26 O6 S -","- C44 H52 O12 S2 -","2","0.25","RZ2282","Yi, Shi-xu; Men, Jian; Wang, Yang; Xiao, Yong; Gao, Guo-wei","2,2'-Dimethyl-4,4'-(sulfonyldi-<i>p</i>-phenylene)dibut-3-yn-2-ol dihydrate","Acta Crystallographica Section E","2009","65","2","o212","","10.1107/S160053680804350X","","","0.71073","MoKα","","0.0665","0.0534","","","0.1327","0.1415","","","","","","1.094","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2243035","13.411","0.003","9.488","0.002","9.79","0.002","90","","90","","90","","1245.7","0.5","93","2","93","2","","","","","","","","6","A m m 2","A 2 -2","38","","Poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-potassium] hemihydrate]","","- C5 H15 Br3 K N2 O0.5 -","- C5 H15 Br3 K N2 O0.5 -","- C20 H60 Br12 K4 N8 O2 -","4","0.5","VN2151","Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·<i>A</i>Br~3~·0.5H~2~O (<i>A</i> = K, Rb, Cs)","Acta Crystallographica Section E","2019","75","8","1243","1248","10.1107/S2056989019010338","","","0.71073","MoKα","","0.0153","0.015","","","0.0311","0.0311","","","","","","0.896","","","","has coordinates,has Fobs","217323","2020-10-21","18:00:00",""
"2243036","13.477","0.003","9.5617","0.0019","9.85","0.002","90","","90","","90","","1269.3","0.5","93","2","93","2","","","","","","","","6","A m m 2","A 2 -2","38","","Poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-rubidium] hemihydrate]","","- C5 H15 Br3 N2 O0.5 Rb -","- C5 H15 Br3 N2 O0.5 Rb -","- C20 H60 Br12 N8 O2 Rb4 -","4","0.5","VN2151","Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·<i>A</i>Br~3~·0.5H~2~O (<i>A</i> = K, Rb, Cs)","Acta Crystallographica Section E","2019","75","8","1243","1248","10.1107/S2056989019010338","","","0.71073","MoKα","","0.0132","0.0128","","","0.0276","0.0276","","","","","","1.01","","","","has coordinates,has Fobs","217323","2020-10-21","18:00:00",""
"2243037","13.61","0.003","9.7201","0.0019","9.977","0.002","90","","90","","90","","1319.9","0.5","93","2","93","2","","","","","","","","6","A m m 2","A 2 -2","38","","Poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-caesium] hemihydrate]","","- C5 H15 Br3 Cs N2 O0.5 -","- C5 H15 Br3 Cs N2 O0.5 -","- C20 H60 Br12 Cs4 N8 O2 -","4","0.5","VN2151","Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·<i>A</i>Br~3~·0.5H~2~O (<i>A</i> = K, Rb, Cs)","Acta Crystallographica Section E","2019","75","8","1243","1248","10.1107/S2056989019010338","","","0.71073","MoKα","","0.0136","0.0134","","","0.0288","0.0289","","","","","","0.94","","","","has coordinates,has Fobs","217323","2020-10-21","18:00:00",""
"2300499","3.9443","0.0003","5.6425","0.0006","5.6763","0.0006","90","","90","","90","","126.33","0.02","295","","295","","","","","","","","","4","A m m 2","A 2 -2","38","Sodium Potassium Niobate oxide","Sodium Potassium Niobate oxide","","- K0.5 Na0.5 Nb O3 -","- K0.5 Na0.5 Nb O3 -","- K Na Nb2 O6 -","2","0.25","NB5132","Orayech, B.; Faik, A.; López, G. A.; Fabelo, O.; Igartua, J. M.","Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~0.5~NbO~3~","Journal of Applied Crystallography","2015","48","2","","","10.1107/S1600576715000941","powder diffraction","","1.54056","CuKα","","","","","","","","","20.2129","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"4002436","18.36","","18.36","","5.147","","90","","90","","90","","1735","","","","","","","","","","","","","2","A m m 2","A 2 -2","38","","Si O2","","- O2.25 Si -","- O2.25 Si -","- O72 Si32 -","32","4","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002709","5.2878","0.0003","21.1901","0.0012","9.6973","0.0005","90","","90","","90","","1086.57","0.1","293","2","293","2","","","","","","","","4","A m m 2","A 2 -2","38","","","","- Mg4 O21 P6 Rb4 -","- Mg4 O21 P6 Rb4 -","- Mg8 O42 P12 Rb8 -","2","0.25","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","M4Mg4(P2O7)3 (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications","Chemistry of Materials","2017","29","4","1845","","10.1021/acs.chemmater.7b00167","","","0.71073","MoKα","","0.0179","0.0174","","","0.0398","0.04","","","","","","1.101","","","","has coordinates","193404","2020-10-21","18:00:00",""
"4110502","12.4802","0.0006","21.0374","0.001","13.4698","0.0005","90","","90","","90","","3536.5","0.3","298","","298","","","","","","","","","2","A m m 2","A 2 -2","38","Zeolite ITQ-24","IWR","","- O2 Si -","- O2 Si -","- O112 Si56 -","56","7","","Angel Cantín; Avelino Corma; Maria J. Diaz-Cabanas; Jose L. Jordá; Manuel Moliner","Rational Design and HT Techniques Allow the Synthesis of New IWR Zeolite Polymorphs","Journal of the American Chemical Society","2006","128","","4216","4217","10.1021/ja0603599","powder diffraction","","","CuKα","","","","","","","","","6.7843","3.01","","","","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4126951","7.218","0.008","9.019","0.009","9.362","0.01","90","","90","","90","","609.5","1.1","330","","330","","","","","","","","","5","A m m 2","A 2 -2","38","","","","- C4 H12 Cl4 Fe N -","- C4 H13 Cl4 Fe N -","- C8 H26 Cl8 Fe2 N2 -","2","0.25","","Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu","Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10539","","","0.71073","MoKα","","0.0367","0.0355","","","0.0997","0.1008","","","","","","1.127","","","","has coordinates","204639","2020-10-21","18:00:00",""
"4132051","6.3652","0.0019","9.002","0.002","9.0065","0.0013","90","","90","","90","","516.1","0.2","293","","293","","","","","","","","","5","A m m 2","A 2 -2","38","27% ethylenediamonium formamidinium lead iodide","","","- C H5 I3 N2 Pb0.96 -","- C H5 I3 N2 Pb0.96 -","- C2 H10 I6 N4 Pb1.92 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.1161","0.0801","","","0.2226","0.2264","","","","3.9","3.9","3.02","","","","has coordinates","242093","2020-10-21","18:00:00",""
"4135405","6.2249","0.0002","8.8294","0.0002","9.3691","0.0002","90","","90","","90","","514.95","0.02","403","2","403","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","0.25","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0179","0.0168","","","0.0341","0.0346","","","","","","1.002","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135406","6.1587","0.0001","8.8322","0.0002","9.3515","0.0002","90","","90","","90","","508.674","0.018","363","2","363","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","0.25","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0212","0.02","","","0.0389","0.0393","","","","","","1.003","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4305043","8.5794","0.0007","4.0944","0.0004","13.1649","0.0008","90","","90","","90","","462.45","0.07","298","2","293","2","","","","","","","","3","A m m 2","A 2 -2","38","","","","- La4 O4 Se3 -","- La4 O4 Se3 -","- La8 O8 Se6 -","2","0.25","","Sabine Strobel; Amitava Choudhury; Peter K. Dorhout; Christian Lipp; Thomas Schleid","Rare-Earth Metal(III) Oxide Selenides M4O4Se[Se2] (M = La, Ce, Pr, Nd, Sm) with Discrete Diselenide Units: Crystal Structures, Magnetic Frustration, and Other Properties","Inorganic Chemistry","2008","47","","4936","4944","10.1021/ic800233c","","","0.71073","MoKα","","0.032","0.0279","","","0.057","0.0584","","","","","","1.104","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305044","8.5137","0.0006","4.0482","0.0003","12.9683","0.0009","90","","90","","90","","446.95","0.06","293","2","296","2","","","","","","","","3","A m m 2","A 2 -2","38","","","","- Ce4 O4 Se3 -","- Ce4 O4 Se3 -","- Ce8 O8 Se6 -","2","0.25","","Sabine Strobel; Amitava Choudhury; Peter K. Dorhout; Christian Lipp; Thomas Schleid","Rare-Earth Metal(III) Oxide Selenides M4O4Se[Se2] (M = La, Ce, Pr, Nd, Sm) with Discrete Diselenide Units: Crystal Structures, Magnetic Frustration, and Other Properties","Inorganic Chemistry","2008","47","","4936","4944","10.1021/ic800233c","","","0.71073","MoKα","","0.0284","0.0282","","","0.0713","0.0715","","","","","","1.047","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305045","8.4992","0.0006","4.0278","0.0003","12.9257","0.0009","90","","90","","90","","442.49","0.05","293","2","293","2","","","","","","","","3","A m m 2","A 2 -2","38","","","","- O4 Pr4 Se3 -","- O4 Pr4 Se3 -","- O8 Pr8 Se6 -","2","0.25","","Sabine Strobel; Amitava Choudhury; Peter K. Dorhout; Christian Lipp; Thomas Schleid","Rare-Earth Metal(III) Oxide Selenides M4O4Se[Se2] (M = La, Ce, Pr, Nd, Sm) with Discrete Diselenide Units: Crystal Structures, Magnetic Frustration, and Other Properties","Inorganic Chemistry","2008","47","","4936","4944","10.1021/ic800233c","","","0.71069","MoKα","","0.0299","0.0288","","","0.0643","0.0648","","","","","","1.042","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305046","8.4568","0.0004","3.9883","0.0002","12.8245","0.0007","90","","90","","90","","432.55","0.04","293","2","293","2","","","","","","","","3","A m m 2","A 2 -2","38","","","","- Nd4 O4 Se3 -","- Nd4 O4 Se3 -","- Nd8 O8 Se6 -","2","0.25","","Sabine Strobel; Amitava Choudhury; Peter K. Dorhout; Christian Lipp; Thomas Schleid","Rare-Earth Metal(III) Oxide Selenides M4O4Se[Se2] (M = La, Ce, Pr, Nd, Sm) with Discrete Diselenide Units: Crystal Structures, Magnetic Frustration, and Other Properties","Inorganic Chemistry","2008","47","","4936","4944","10.1021/ic800233c","","","0.71073","MoKα","","0.0236","0.0225","","","0.049","0.0494","","","","","","1.057","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305047","8.4008","0.0005","3.9404","0.0003","12.6383","0.0006","90","","90","","90","","418.36","0.05","293","2","293","2","","","","","","","","3","A m m 2","A 2 -2","38","","","","- O4 Se3 Sm4 -","- O4 Se3 Sm4 -","- O8 Se6 Sm8 -","2","0.25","","Sabine Strobel; Amitava Choudhury; Peter K. Dorhout; Christian Lipp; Thomas Schleid","Rare-Earth Metal(III) Oxide Selenides M4O4Se[Se2] (M = La, Ce, Pr, Nd, Sm) with Discrete Diselenide Units: Crystal Structures, Magnetic Frustration, and Other Properties","Inorganic Chemistry","2008","47","","4936","4944","10.1021/ic800233c","","","0.71073","MoKα","","0.0248","0.0246","","","0.0581","0.0585","","","","","","1.124","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4320177","10.7345","0.0003","29.6422","0.0004","5.7286","0.0002","90","","90","","90","","1822.81","0.09","180","2","180","2","","","","","","","","5","A m m 2","A 2 -2","38","","","","- C24 H54 N6 O17 S3 -","- C24 H54 N6 O17 S3 -","- C48 H108 N12 O34 S6 -","2","0.25","","Thomas Clifford; Andrew Danby; José M. Llinares; Susan Mason; Nathaniel W. Alcock; Douglas Powell; Juan A. Aguilar; Enrique García-España; Kristin Bowman-James","Anion Binding with Two Polyammonium Macrocycles of Different Dimensionality","Inorganic Chemistry","2001","40","","4710","4720","10.1021/ic010135l","","","0.71073","MoKα","","0.0769","0.0587","","","0.1414","0.1527","","","","","","1.128","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00",""
"4335084","8.8215","0.0018","9.903","0.002","5.719","0.0011","90","","90","","90","","499.61","0.17","100","2","100","2","","","","","","","","4","A m m 2","A 2 -2","38","","","","- Ag2 Nb3 S6 Te -","- Ag2 Nb3 S6 Te -","- Ag4 Nb6 S12 Te2 -","2","0.25","","Sandy L. Nguyen; Christos D. Malliakas; Melanie C. Francisco; Mercouri G. Kanatzidis","Lattice-Matched Transition Metal Disulfide Intergrowths: The Metallic Conductors Ag2Te(MS2)3 (M = V, Nb)","Inorganic Chemistry","2013","52","","6520","6532","10.1021/ic400483d","","x-ray","0.71073","MoKα","","0.0457","0.0433","","","0.125","0.1261","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335633","6.3286","0.001","8.9554","0.0011","8.9463","0.0011","90","","90","","90","","507.03","0.12","340","2","340","2","","","","","","","","5","A m m 2","A 2 -2","38","alpha-Formamidinium_Tin_Iodide","","","- C H5 I3 N2 Sn -","- C H5 I3 N2 Sn -","- C2 H10 I6 N4 Sn2 -","2","0.25","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0615","0.0323","","","0.0577","0.0632","","","","","","0.861","","","","has coordinates","179459","2020-10-21","18:00:00",""
"5910192","3.949","","10.192","","14.721","","90","","90","","90","","592.494","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","","","- F Na Nb6 O15 -","- Na4 Nb20 O16 -","- Na4 Nb20 O16 -","","","","Wyckoff, R. W. G.","Pages 79 & 80 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","79","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000056","3.6554","","12.3954","","7.6316","","90","","90","","90","","345.79","","","","3.8","","","","","","","","","4","A m m 2","","","","","","- Al D1.1 Ni Tb -","","","","","","Brinks, H. W.; Yartys, V. A.; Hauback, B. C.; Fjellvag, H.; Yvon, K.; Gingl, F.; Vogt, T.","The magnetic structure of TbNiAlD1.1","Journal of Alloys and Compounds","2000","311","","114","119","10.1016/S0925-8388(00)01034-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7120415","5.1684","0.0012","15.051","0.003","4.9061","0.0012","90","","90","","90","","381.64","0.15","173","2","173","2","","","","","","","","4","A m m 2","A 2 -2","38","","Pb2(NO3)2(H2O)F2","","- F2 N2 O7 Pb2 -","- F2 N2 O7 Pb2 -","- F4 N4 O14 Pb4 -","2","0.25","","Peng, Guang; Yang, Yi; Tang, Yu-Huan; Luo, Min; Yan, Tao; Zhou, Yuqiao; Lin, Chensheng; Lin, Zheshuai; Ye, Ning","Collaborative Enhancement from Pb2+ and F- in Pb2(NO3)2(H2O)F2 Generates the Largest Second Harmonic Generation Effect Among Nitrates","Chem. Commun.","2017","","","","","10.1039/C7CC04340F","","","0.71073","MoKα","","0.0361","0.0335","","","0.0651","0.0662","","","","","","0.986","","","","has coordinates","198612","2020-10-21","18:00:00",""
"7128629","7.44","0.03","11.17","0.04","6.3","0.02","90","","90","","90","","524","3","296","2","296","2","","","","","","","","4","A m m 2","A 2 -2","38","","","","- Ag5 Cl2 P S4 -","- Ag5 Cl2 P S4 -","- Ag10 Cl4 P2 S8 -","2","0.25","","Gao, Lihua; Chu, Yu; Wu, Xiaowen; Zhang, Bingbing; Wu, Kui","From thiophosphate to chalcohalide: mixed-anion AgS<sub>x</sub>Cl<sub>y</sub> ligands concurrently enhancing nonlinear optical effects and laser-damage threshold.","Chemical communications (Cambridge, England)","2021","57","66","8218","8221","10.1039/d1cc02656a","","","0.71073","MoKα","","0.0623","0.0513","","","0.1515","0.1697","","","","","","1.179","","","","has coordinates","268548","2021-09-06","09:13:36",""
"7129420","19.017","0.004","23.361","0.005","21.208","0.004","90","","90","","90","","9422","3","100","2","100","2","","","","","","","","5","A m m 2","A 2 -2","38","UAM-1","","","- C21.5 H16.5 N8.5 O22.5 Zr3 -","- C20.5 H15.25 N8.5 O16.5 Zr3 -","- C164 H122 N68 O132 Zr24 -","8","1","","Gimeno-Fonquernie, Pol; Liang, W.; Albalad, Jorge; Kuznicki, Andrew; Price, Jason; Bloch, Eric D.; Doonan, Christian J.; Sumby, Christopher J.","Templated synthesis of zirconium(IV)-based metal-organic layers (MOLs) with accessible chelating sites","Chemical Communications","2022","","","","","10.1039/D1CC06443F","","","0.6888","Synchrotron","","0.1005","0.0855","","","0.2614","0.2837","","","","","","1.183","","","","has coordinates,has disorder","271515","2021-12-18","22:53:07",""
"7212939","3.970162","0.000095","5.67111","0.00019","5.69467","0.00019","90","","90","","90","","128.217","0.007","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.7 Na0.3 Nb O3 -","- K0.7016 Na0.2984 Nb0.5 O3 -","- K1.4032 Na0.5968 Nb O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.277","2.12","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212940","3.96867","0.00014","5.67069","0.00028","5.69626","0.00029","90","","90","","90","","128.195","0.01","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.7 Na0.3 Nb O3 -","- K0.832 Na0.168 Nb0.5 O3 -","- K1.664 Na0.336 Nb O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.243","1.78","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212941","3.97024","0.00026","5.662","0.00055","5.68624","0.00056","90","","90","","90","","127.82","0.02","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.7 Na0.3 Nb O3 -","- K0.713 Na0.287 Nb O3 -","- K1.426 Na0.574 Nb2 O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.582","1.42","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212942","3.96136","0.00046","5.65428","0.00076","5.68474","0.00086","90","","90","","90","","127.33","0.03","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.7 Na0.3 Nb O3 -","- K0.76 Na0.24 Nb O3 -","- K1.52 Na0.48 Nb2 O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.285","1.49","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212943","3.98381","0.00011","5.689","0.00019","5.70757","0.00019","90","","90","","90","","129.356","0.007","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.93 Na0.07 Nb O3 -","- K0.999489 Na0.000511376 Nb O3 -","- K1.99898 Na0.00102275 Nb2 O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","2.441","1.97","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212944","3.981973","0.00008","5.68731","0.00014","5.70733","0.00014","90","","90","","90","","129.252","0.005","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.903 Na0.097 Nb O3 -","- K0.8745 Na0.1255 Nb O2.8642 -","- K1.749 Na0.251 Nb2 O5.7284 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","2.293","3.05","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212945","3.977443","0.000091","5.68725","0.00017","5.70678","0.00016","90","","90","","90","","129.091","0.006","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.86 Na0.14 Nb O3 -","- K0.8578 Na0.1422 Nb O2.806 -","- K1.7156 Na0.2844 Nb2 O5.612 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.67","1.72","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212946","3.973479","0.000059","5.68046","0.00011","5.70266","0.00011","90","","90","","90","","128.716","0.004","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.84 Na0.16 Nb O3 -","- K0.8393 Na0.1607 Nb O2.806 -","- K1.6786 Na0.3214 Nb2 O5.612 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.805","1.91","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212947","3.973479","0.000059","5.68046","0.00011","5.70266","0.00011","90","","90","","90","","128.716","0.004","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.83 Na0.17 Nb O3 -","- K0.8354 Na0.1746 Nb O3 -","- K1.6708 Na0.3492 Nb2 O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.833","1.91","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212948","3.972623","0.000059","5.68015","0.0001","5.7037","0.0001","90","","90","","90","","128.705","0.004","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.77 Na0.23 Nb O3 -","- K0.7714 Na0.2285 Nb O3 -","- K1.5428 Na0.457 Nb2 O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.842","2.81","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212949","3.97304","0.00011","5.67576","0.0002","5.69703","0.00019","90","","90","","90","","128.468","0.007","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.73 Na0.27 Nb O3 -","- K0.7619 Na0.2381 Nb0.5 O3 -","- K1.5238 Na0.4762 Nb O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.523","1.25","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212950","3.970626","0.000088","5.67573","0.00017","5.69855","0.00017","90","","90","","90","","128.424","0.006","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.75 Na0.25 Nb O3 -","- K0.7549 Na0.245 Nb0.5 O3 -","- K1.5098 Na0.49 Nb O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.604","1.24","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212951","3.96953","0.00011","5.6731","0.00021","5.69719","0.00021","90","","90","","90","","128.298","0.008","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.72 Na0.28 Nb O3 -","- K0.725 Na0.275 Nb0.5 O3 -","- K1.45 Na0.55 Nb O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.411","1.32","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7236867","4.972","0.0009","11.068","0.003","7.1271","0.0014","90","","90","","90","","392.2","0.15","293","2","293","2","","","","","","","","4","A m m 2","A 2 -2","38","","","","- C3 Ca2 Na2 O9 -","- C3 Ca2 Na2 O9 -","- C6 Ca4 Na4 O18 -","2","0.25","","Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning","Explorations of new UV nonlinear optical materials in the Na2CO3‒CaCO3system","Journal of Materials Chemistry C","2017","5","34","8758","","10.1039/C7TC02789C","","","0.71073","MoKα","","0.0286","0.028","","","0.0534","0.0537","","","","","","1.126","","","","has coordinates","236587","2020-10-21","18:00:00",""
"7245721","4.807","0.0004","15.1947","0.0009","7.8938","0.0006","90","","90","","90","","576.57","0.07","100.8","0.4","100.8","0.4","","","","","","","","4","A m m 2","A 2 -2","38","[Eu(ox)0.5(CO3)(H2O)]","Europium(III) Carbonate Hemioxalate Hydrate","","- C2 H2 Eu O6 -","- C2 H2 Eu O6 -","- C8 H8 Eu4 O24 -","4","0.5","","Takano, Rina; Ishida, Takayuki; Ay, Burak","Synthesis, crystal structure, and luminescence properties of a three-dimensional coordination polymer from europium(iii) carbonate hemioxalate hydrate","CrystEngComm","2022","","","","","10.1039/D2CE01105K","","x-ray","0.71073","MoKα","","0.0224","0.0213","","","0.0519","0.0527","","","","","","1.0629","","","","has coordinates","278821","2022-10-26","22:54:53",""
"7706030","3.978","","17.401","","17.742","","90","","90","","90","","1228.12","","","","","","","","","","","","","7","A m m 2","A 2 -2","38","O60 Nb20 V4","Unknown","Unknown","- Ph as e kn n ow un -","- Nb20 O60 V4 -","- Nb20 O60 V4 -","1","0.125","","Caggiu, Laura; Iacomini, Antonio; Pistidda, Claudio; Farina, Valeria; Senes, Nina; Cao, Hujun; Gavini, Elisabetta; Mulas, Gabriele; Garroni, Sebastiano; Enzo, Stefano","<i>In situ</i> synchrotron radiation investigation of V<sub>2</sub>O<sub>5</sub>-Nb<sub>2</sub>O<sub>5</sub> metastable compounds: transformational kinetics at high temperatures with a new structural solution for the orthorhombic V<sub>4</sub>Nb<sub>20</sub>O<sub>60</sub> phase.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17584","17593","10.1039/d0dt03426f","","","","","","514.787","","","1034.88","","","","","0.0524171","","","","","","","has coordinates","260761","2021-01-07","06:20:41",""
"7712753","32.9022","0.0009","37.7479","0.001","12.5306","0.0004","90","","90","","90","","15562.9","0.8","100","","100","","","","","","","","","8","A m m 2","A 2 -2","38","","","","- C216 H304 Br8 Cl8 N16 O16 P16 Rh8 -","- C216 H304 Br8 Cl8 N16 O16 P16 Rh8 -","- C432 H608 Br16 Cl16 N32 O32 P32 Rh16 -","2","0.25","","Pandey, Madhusudan Kumar; Sheokand, Sonu; Balakrishna, Maravanji Shivaramaiah","Synthesis and characterization of cyclodiphosphazanes embedded macrocycle tetrabromo-resorcin[4]arene-tetrakis(cyclodiphospha-zane) and its tetra-rhodium(I) complex","Dalton Transactions","2023","","","","","10.1039/D3DT00880K","","","0.71073","MoKα","","0.0967","0.0719","","","0.1682","0.1877","","","","","","1.024","","","","has coordinates,has disorder","282599","2023-04-11","23:01:21",""
"7715583","3.99374","0.00019","5.8217","0.0003","5.8647","0.0002","90","","90","","90","","136.356","0.011","294","2","294","2","","","","","","","","3","A m m 2","A 2 -2","38","","RbNbO3","","- Nb O3 Rb -","- Nb O3 Rb -","- Nb2 O6 Rb2 -","2","0.25","","Yamamoto, Ayako; Murase, Kimitoshi; Sato, Takeru; Sugiyama, Kazumasa; Kawamata, Toru; Inaguma, Yoshiyuki; Yamaura, Jun-Ichi; Shitara, Kazuki; Yokoi, Rie; Moriwake, Hiroki","Crystal structure and properties of perovskite-type rubidium niobate, a high-pressure phase of RbNbO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7044","7052","10.1039/d4dt00190g","","","0.71073","MoKα","","0.0167","0.0158","","","0.0366","0.0368","","","","","","1.031","","","","has coordinates","291635","2024-05-05","02:56:57",""
"8103475","12.836","","24.933","","7.482","","90","","90","","90","","2394.54","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Tl4 Cu (Cu2 B18 O28 (O H)8) (H2 O)10","","- B18 Cu3 O44 Tl4 -","- B18 Cu3 H24 O44 Tl4 -","- B36 Cu6 H48 O88 Tl8 -","2","0.25","","Behm, H.; Smykalla, C.","Crystal and molecular structure of tetrathalliummonocopper(Cyclo-octahydroxooctacosaoxooctadec borato)dicuprate(II) decahydrate, Tl4 Cu (Cu2 B18 O28 (O H)8 ) * 10 H2 O","Zeitschrift fuer Kristallographie (149,1979-)","1988","183","","63","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","187550","2020-10-21","18:00:00",""
"9000822","7.106","","17.9","","7.087","","90","","90","","90","","901.448","","","","","","","","","","","","Anderson mine, Yavapai County, Arizona, USA","3","A m m 2","A 2 -2","38","","","Weeksite","- O7 Si U -","- O7 Si U -","- O28 Si4 U4 -","4","0.5","","Stohl, F. V.; Smith, D. K.","The crystal chemistry of the uranyl silicate minerals","American Mineralogist","1981","66","","610","625","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9008053","3.968","","8.307","","8.196","","90","","90","","90","","270.158","","","","","","","","","","","","Synthetic","3","A m m 2","A 2 -2","38","","","","- Cd Cl2 N2 -","- Cd Cl2 N2 -","- Cd2 Cl4 N4 -","2","0.25","","MacGillavry, C. H.; Bijvoet, J. M.","Die kristallstruktur der cadmium-und quecksilber-diammin-dihalogenide","Zeitschrift fur Kristallographie","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9008057","4.13","","8.55","","8.55","","90","","90","","90","","301.913","","","","","","","","","","","","Synthetic","3","A m m 2","A 2 -2","38","","","","- Br2 Cd N2 -","- Br2 Cd N2 -","- Br4 Cd2 N4 -","2","0.25","","MacGillavry, C. H.; Bijvoet, J. M.","Die kristallstruktur der cadmium-und quecksilber-diammin-dihalogenide","Zeitschrift fur Kristallographie","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9009888","4.947","","11.032","","7.108","","90","","90","","90","","387.921","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","","Shortite","- C3 Ca2 Na2 O9 -","- C3 Ca2 Na2 O9 -","- C6 Ca4 Na4 O18 -","2","0.25","","Dickens, B.; Hyman, A.; Brown, W. E.","Crystal structure of Ca2Na2(CO3)3 (shortite) Note: Y- and z-coordinates of Ca adjusted to match reported bond lengths","Journal of Research of the National Bureau of Standards - Physics and Chemistry","1971","","","129","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9014492","3.9828","","5.6745","","5.6946","","90","","90","","90","","128.7","","","","","","","","","","","","Synthetic","3","A m m 2","A 2 -2","38","","","Barioperovskite","- Ba O3 Ti -","- Ba2 O6 Ti2 -","- Ba2 O6 Ti2 -","","","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 190 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014627","3.9806","","5.671","","5.6904","","90","","90","","90","","128.455","","","","","","","","","","","","Synthetic","3","A m m 2","A 2 -2","38","","","Barioperovskite","- Ba O3 Ti -","- Ba2 O6 Ti2 -","- Ba2 O6 Ti2 -","","","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 210 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014645","3.9855","","5.6738","","5.6903","","90","","90","","90","","128.674","","","","","","","","","","","","Synthetic","3","A m m 2","A 2 -2","38","","","Barioperovskite","- Ba O3 Ti -","- Ba2 O6 Ti2 -","- Ba2 O6 Ti2 -","","","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 250 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014774","3.99","","5.669","","5.682","","90","","90","","90","","128.523","","","","","","","","","","","","Synthetic","3","A m m 2","A 2 -2","38","","","Barioperovskite","- Ba O3 Ti -","- Ba2 O6 Ti2 -","- Ba2 O6 Ti2 -","","","","Shirane, G.; Danner, H.; Pepinsky, R.","Neutron diffraction study of orthorhombic BaTiO3 Note: orthorhombic structure","Physical Review","1957","105","","856","860","10.1103/PhysRev.105.856","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015715","4.0094","","5.6214","","5.6386","","90","","90","","90","","127.085","","","","","","","","","","","","Synthetic","3","A m m 2","A 2 -2","38","","","Barioperovskite","- Ba O3 Ti -","- Ba2 O6 Ti2 -","- Ba2 O6 Ti2 -","","","","Xiao, C. J.; Jin, C. Q.; Wang, X. H.","Crystal structure of dense nanocrystalline BaTiO3 ceramics Note: phase O (orthorhombic)","Materials Chemistry and Physics","2008","111","","209","212","10.1016/j.matchemphys.2008.01.020","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016084","3.9841","","5.6741","","5.6916","","90","","90","","90","","128.665","","","","","","","","","","","","Synthetic","3","A m m 2","A 2 -2","38","","","Barioperovskite","- Ba O3 Ti -","- Ba2 O6 Ti2 -","- Ba2 O6 Ti2 -","","","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 230 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016638","3.9874","","5.6751","","5.6901","","90","","90","","90","","128.761","","","","","","","","","","","","Synthetic","3","A m m 2","A 2 -2","38","","","Barioperovskite","- Ba O3 Ti -","- Ba2 O6 Ti2 -","- Ba2 O6 Ti2 -","","","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 270 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""