# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-25T03:19:23+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 269 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
"1000176","12.607","0.003","12.607","0.003","12.607","0.003","90","","90","","90","","2003.7","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Trisodium trilithium scandium dodecafluoride","","- F12 Li3 Na3 Sc2 -","- F12 Li3 Na3 Sc2 -","- F96 Li24 Na24 Sc16 -","8","0.0833333","","de Pape, R; Portier, J; Grannec, J; Gauthier, G; Hagenmueller, P","Sur quelques nouveaux grenats fluores.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","1120","1121","","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000177","12.693","0.003","12.693","0.003","12.693","0.003","90","","90","","90","","2045","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Trisodium trilithium indium dodecafluoride","","- F12 In2 Li3 Na3 -","- F12 In2 Li3 Na3 -","- F96 In16 Li24 Na24 -","8","0.0833333","","de Pape, R; Portier, J; Grannec, J; Gauthier, G; Hagenmueller, P","Sur quelques nouveaux grenats fluores.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","1120","1121","","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001144","5.169","","5.169","","4.222","","90","","90","","120","","97.7","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Iron germanium (3:1)","","- Fe3 Ge -","- Fe3 Ge -","- Fe6 Ge2 -","2","0.0833333","","Turbil, J P; Billiet, Y; Michel, A","Contribution a l'etude cristallographique de la phase Fe~3~ Ge de structure D O~19~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","309","311","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001175","5.77","0.002","5.77","0.002","14.14","0.015","90","","90","","120","","407.7","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium iron(III) tungsten nonaoxide","","- Ba3 Fe2 O9 W -","- Ba3 Fe2 O9 W -","- Ba6 Fe4 O18 W2 -","2","0.0833333","","Seveque, F; Delamoye, P; Poix, P; Michel, A","Preparation et caracteres cristallographiques de l'oxyde mixte Ba~3~ Fe~2~ W O~9~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","1536","1538","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001176","5.61","0.01","5.61","0.01","5.61","0.01","90","","90","","90","","176.6","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lanthanum molybdenum oxide *","","- La2.4 Mo1.6 O8 -","- La2.4 Mo1.6 O8 -","- La2.4 Mo1.6 O8 -","1","0.00520833","","Hubert, P H; Michel, P; Vincent, C","Structure du molybdite de lanthane La~3~ Mo~2~ O~10~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","1287","1289","","","","","","","0.091","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509309","5.744","","5.744","","5.744","","90","","90","","90","","189.515","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag Er Se2 -","- Ag Er Se2 -","- Ag2 Er2 Se4 -","2","0.0104167","","Guittard, M.; Julien-Pouzol, M.","Etude cristallographique des systemes formes entre les seleniures L2Se3 des terres rares et le seleniure d'argent","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","316","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509364","8.01","","8.01","","12.45","","90","","90","","90","","798.793","","","","","","","","","","","","","3","I 41 m d","I 4bw -2","109","","","","- Ag Gd Se2 -","- Ag Gd Se2 -","- Ag4 Gd4 Se8 -","4","0.25","","Guittard, M.; Julien-Pouzol, M.","Etude cristallographique des systemes formes entre les sleniures L2Se3 de terres rares et le seleniure d'argent","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","316","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509381","5.762","","5.762","","5.762","","90","","90","","90","","191.302","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag Ho Se2 -","- Ag Ho Se2 -","- Ag2 Ho2 Se4 -","2","0.0104167","","Julien-Pouzol, M.; Guittard, M.","Etude cristallographique des systemes formes entre les seleniures L2Se3 des terres rares et le seleniure d'argent","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","316","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509542","5.78","","5.78","","5.78","","90","","90","","90","","193.101","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ag Y Se2","","- Ag Se2 Y -","- Ag Se2 Y -","- Ag2 Se4 Y2 -","2","0.0104167","","Julien-Pouzol, M.; Guittard, M.","Etude cristallographique des systemes formes entre les seleniures L2Se3 des terres rares et le seleniure d'argent","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","316","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510252","7.145","","16.79","","8.291","","90","","107.13","","90","","950.503","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Na5 (Au Se12)","","- Au Na5 Se12 -","- Au Na5 Se12 -","- Au2 Na10 Se24 -","2","1","","Klepp, K.O.; Sing, M.; Weithaler, C.","Na5 Au Se12 - the first selenoaurate(III) with discrete complex anions","Journal of Alloys Compd.","1998","269","","92","97","10.1016/S0925-8388(98)00002-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1527571","10.4714","","10.4714","","8.6171","","90","","90","","90","","944.867","","","","","","","","","","","","","5","I -4 2 m","I -4 2","121","","Ca11.76 ((Si0.75 Al0.25)4.44 O19.82) Cl1.05","","- Al1.11 Ca11.76 Cl1.05 O19.82 Si3.33 -","- Al1.112 Ca11.76 Cl1.05 O19.82 Si3.332 -","- Al2.224 Ca23.52 Cl2.1 O39.64 Si6.664 -","2","0.125","","Ilyukhin, V.V.; Nevskii, N.N.; Howie, R.A.; Bickbau, M.J.","Crystal structure of alinite","Nature (London)","1977","269","","397","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","149200","2020-10-21","18:00:00",""
"1531494","41.857","","5.4551","","5.468","","90","","90","","90","","1248.53","","","","","","","","","","","","","4","F m m 2","F 2 -2","42","","Ba Bi4 Ti4 O15","","- Ba Bi4 O15 Ti4 -","- Ba0.94 Bi4.06 O15 Ti4 -","- Ba3.76 Bi16.24 O60 Ti16 -","4","0.25","","Fuentes, M.E.; Fernandez, J.F.; Mehta, A.; Lascano, L.; Chianelli, R.R.; Fuentes, L.; Camacho, H.","The crystal structure of Ba Bi4 Ti4 O15","Ferroelectrics","2002","269","","159","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531629","7.717","","13.367","","9.539","","90","","90","","90","","983.978","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","K2 (Zn Br4)","","- Br4 K2 Zn -","- Br4 K2 Zn -","- Br16 K8 Zn4 -","4","0.5","","Kasano, H.; Mashiyama, H.; Sato, J.","Structural change of the surroundings of K(+) in K2 Zn Br4 crystal on the monoclinic - orthorhombic phase transition","Ferroelectrics","2002","269","","141","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531814","7.728","","6.187","","4.81","","90","","109.15","","90","","217.255","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Rb (D2 P O4)","","- D2 O4 P Rb -","- D2 O4 P Rb -","- D4 O8 P2 Rb2 -","2","0.5","","Moriyoshi, C.; Fujii, T.; Itoh, K.; Komukae, M.","Structure determination of monoclinic Rb D2 P O4 in the high-temperature phase","Ferroelectrics","2002","269","","273","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531893","10.164","","10.164","","10.164","","90","","90","","90","","1050.01","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","K2 (Cd0.845 Mn1.155) (S O4)3","","- Cd0.845 K2 Mn1.155 O12 S3 -","- Cd0.845 K2 Mn1.155 O12 S3 -","- Cd3.38 K8 Mn4.62 O48 S12 -","4","0.333333","","Magome, E.; Itoh, K.; Moriyoshi, C.; Vlokh, R.","X-ray structure analysis of K2 Cd2x Mn2(1-x) (S O4)3 mixed crystal in the high-temperature phase","Ferroelectrics","2002","269","","93","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","157477","2020-10-21","18:00:00",""
"1534283","5.855","","5.855","","9.503","","90","","90","","120","","282.127","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Rb2 (Mn F6)","","- F6 Mn Rb2 -","- F6 Mn Rb2 -","- F12 Mn2 Rb4 -","2","0.166667","","Bode, H.; Wendt, W.","Ueber die Struktur von Hexafluoromanganaten(IV)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1952","269","","165","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534284","8.43","","8.43","","8.43","","90","","90","","90","","599.077","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rb2 (Mn F6)","","- F6 Mn Rb2 -","- F6 Mn Rb2 -","- F24 Mn4 Rb8 -","4","0.0208333","","Bode, H.; Wendt, W.","Ueber die Struktur von Hexafluoromanganaten(IV)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1952","269","","165","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534285","5.94","","5.94","","9.63","","90","","90","","120","","294.259","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Rb2 (Ge F6)","","- F6 Ge Rb2 -","- F6 Ge Rb2 -","- F12 Ge2 Rb4 -","2","0.166667","","Bode, H.; Brockmann, R.","Zur Kristallstruktur der Hexafluorogermanate","Zeitschrift fuer Anorganische und Allgemeine Chemie","1952","269","","173","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534757","8.28","","8.28","","8.28","","90","","90","","90","","567.664","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Mg Ga2 O4","","- Ga2 Mg O4 -","- Ga2 Mg O4 -","- Ga16 Mg8 O32 -","8","0.0416667","","Baffier, N.; Huber, M.","Etude par diffraction des rayons X de spinelles oxyfluores de magnesium et de gallium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","312","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534761","8.287","","8.287","","8.287","","90","","90","","90","","569.104","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Mg1.0625 Ga1.9 O3.775 F.225","","- F0.225 Ga1.9 Mg1.0625 O3.775 -","- F0.2248 Ga1.9001 Mg1.056 O3.7752 -","- F1.7984 Ga15.2008 Mg8.448 O30.2016 -","8","0.0416667","","Baffier, N.; Huber, M.","Etude par diffraction des rayons X de spinelles oxyfluores de magnesium et de gallium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","312","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","161735","2020-10-21","18:00:00",""
"1534764","8.298","","8.298","","8.298","","90","","90","","90","","571.374","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Mg.95 Ga1.75 O3.15 F.85","","- F0.85 Ga1.75 Mg0.95 O3.15 -","- F0.85 Ga1.75 Mg0.95 O3.15 -","- F6.8 Ga14 Mg7.6 O25.2 -","8","0.0416667","","Baffier, N.; Huber, M.","Etude par diffraction des rayons X de spinelles oxyfluores de magnesium et de gallium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","312","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","161740","2020-10-21","18:00:00",""
"1538488","8.41","","8.41","","4.62","","90","","90","","120","","282.986","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Li2 Ge F6","","- F6 Ge Li2 -","- F6 Ge Li2 -","- F18 Ge3 Li6 -","3","0.5","","Portier, J.; Grannec, J.","Etude radiocristallographique de deux varietes de l'hexafluoro-germanate de lithium Li2 Ge F6","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","327","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538539","3.928","","3.928","","9.43","","90","","90","","90","","145.497","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Rb Cu4 S3","","- Cu4 Rb S3 -","- Cu4 Rb S3 -","- Cu4 Rb S3 -","1","0.0625","","Ruedorff, W.; Schwarz, H.G.; Walter, M.","Strukturuntersuchungen an Alkalithiocupraten","Zeitschrift fuer Anorganische und Allgemeine Chemie","1952","269","","141","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9013146","8.7025","","8.7025","","95.05","","90","","90","","120","","6234.06","","","","","","","","","","","","Synthetic","5","R -3 c :H","-R 3 2""c","167","","","Taranakite","- Al5 H42 K3 O50 P8 -","- Al5 H42 K3 O50 P8 -","- Al30 H252 K18 O300 P48 -","6","0.166667","","Dick, S.; Gossner, U.; Weiss, A.; Robl, C.; Grossman, G.; Ohms, G.; Zeiske, T.","Taranakite - the mineral with the longest crystallographic axis","Inorganica Chimica Acta","1998","269","","47","57","10.1016/S0020-1693(97)05781-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""