# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-23T21:43:06+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 273 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
"1000169","10.506","0.003","10.506","0.003","10.506","0.003","90","","90","","90","","1159.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium diniobium pentaoxide fluoride","","- F Nb2 O5 Tl -","- F1.0002 Nb2 O4.9998 Tl -","- F8.0016 Nb16 O39.9984 Tl8 -","8","0.0416667","","Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R","Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallohraphique dans le cas du thallium","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1971","273","","747","750","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000170","10.365","0.003","10.365","0.003","10.365","0.003","90","","90","","90","","1113.5","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium titanium niobium tetraoxide difluoride","","- F2 Nb O4 Ti Tl -","- F1.9998 Nb O4.0002 Ti Tl -","- F15.9984 Nb8 O32.0016 Ti8 Tl8 -","8","0.0416667","","Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R","Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1971","273","","747","750","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000171","10.241","0.003","10.241","0.003","10.241","0.003","90","","90","","90","","1074.1","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium titanium tungsten pentaoxide fluoride","","- F O5 Ti Tl W -","- F1.0002 O4.9998 Ti Tl W -","- F8.0016 O39.9984 Ti8 Tl8 W8 -","8","0.0416667","","Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R","Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1971","273","","747","750","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000172","10.492","0.003","10.492","0.003","10.492","0.003","90","","90","","90","","1155","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rubidium diniobium pentaoxide fluoride","","- F Nb2 O5 Rb -","- F1.0002 Nb2 O4.9998 Rb -","- F8.0016 Nb16 O39.9984 Rb8 -","8","0.0416667","","Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R","Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1971","273","","747","750","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000173","10.525","0.003","10.525","0.003","10.525","0.003","90","","90","","90","","1165.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Caesium diniobium pentaoxide fluoride","","- Cs F Nb2 O5 -","- Cs F1.0002 Nb2 O4.9998 -","- Cs8 F8.0016 Nb16 O39.9984 -","8","0.0416667","","Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R","Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1971","273","","747","750","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001764","3.8845","0.0003","3.8845","0.0003","9.5237","0.0009","90","","90","","90","","143.7","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (0.84/2/1.16/4.19)","","- Ba2 Cu1.16 Hg0.84 O4.19 -","- Ba2 Cu1.16 Hg0.84 O4.19 -","- Ba2 Cu1.16 Hg0.84 O4.19 -","1","0.0625","","Pelloquin, D; Hardy, V; Maignan, A; Raveau, B","Single crystals of the 96 K superconductor (Hg, Cu) Ba2 Cu O4+d: growth, structure and magnetism","Physica C (Amsterdam) (152,1988-)","1997","273","","205","212","10.1016/S0921-4534(96)00627-2","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1537477","9.436","","9.436","","9.436","","90","","90","","90","","840.163","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Li53.33 Si10.67 N32","","- Li53.33 N32 Si10.67 -","- Li53.3328 N32 Si10.6672 -","- Li53.3328 N32 Si10.6672 -","1","0.0208333","","Juza, R.; Weber, H.H.; Meyer-Simon, E.","Ueber ternaere Nitride und Oxonitride von Elementen der 4. Gruppe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","273","","48","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","165677","2020-10-21","18:00:00",""
"1537478","9.7","","9.7","","9.7","","90","","90","","90","","912.673","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Li53.33 Ti10.67 N32","","- Li53.33 N32 Ti10.67 -","- Li53.3328 N32 Ti10.6672 -","- Li53.3328 N32 Ti10.6672 -","1","0.0208333","","Juza, R.; Weber, H.H.; Meyer-Simon, E.","Ueber ternaere Nitride und Oxonitride von Elementen der 4. Gruppe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","273","","48","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","165678","2020-10-21","18:00:00",""
"1537479","9.614","","9.614","","9.614","","90","","90","","90","","888.612","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Li53.33 Ge10.67 N32","","- Ge10.67 Li53.33 N32 -","- Ge10.6672 Li53.3328 N32 -","- Ge10.6672 Li53.3328 N32 -","1","0.0208333","","Juza, R.; Weber, H.H.; Meyer-Simon, E.","Ueber ternaere Nitride und Oxonitride von Elementen der 4. Gruppe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","273","","48","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","165679","2020-10-21","18:00:00",""
"1537480","4.676","","4.676","","4.676","","90","","90","","90","","102.241","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Li4 Si0.8 N2.4 (Li2 O)1.6","","- Li7.2 N2.4 O1.6 Si0.8 -","- Li7.2 N2.4 O1.6 Si0.8 -","- Li7.2 N2.4 O1.6 Si0.8 -","1","0.00520833","","Juza, R.; Weber, H.H.; Meyer-Simon, E.","Ueber ternaere Nitride und Oxonitride von Elementen der 4. Gruppe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","273","","48","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","165680","2020-10-21","18:00:00",""
"1537481","4.76","","4.76","","4.76","","90","","90","","90","","107.85","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Li4 Ti0.8 N2.4 (Li2 O)1.6","","- Li7.2 N2.4 O1.6 Ti0.8 -","- Li7.2 N2.4 O1.6 Ti0.8 -","- Li7.2 N2.4 O1.6 Ti0.8 -","1","0.00520833","","Juza, R.; Weber, H.H.; Meyer-Simon, E.","Ueber ternaere Nitride und Oxonitride von Elementen der 4. Gruppe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","273","","48","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","165681","2020-10-21","18:00:00",""
"1537482","4.748","","4.748","","4.748","","90","","90","","90","","107.037","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Li4 Ge0.8 N2.4 (Li2 O)1.6","","- Ge0.8 Li7.2 N2.4 O1.6 -","- Ge0.8 Li7.2 N2.4 O1.6 -","- Ge0.8 Li7.2 N2.4 O1.6 -","1","0.00520833","","Juza, R.; Meyer-Simon, E.; Weber, H.H.","Ueber ternaere Nitride und Oxonitride von Elementer der 4. Gruppe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","273","","48","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","165682","2020-10-21","18:00:00",""
"9011927","6.472","","6.735","","8.806","","92.5","","97.33","","119.32","","329.43","","","","","","","","","","","","","6","P -1","-P 1","2","","","Barentsite","- C4 H2 Al F4 Na7 O12 -","- C4 H2 Al F4 Na7 O12 -","- C4 H2 Al F4 Na7 O12 -","1","0.5","","Tjy, C. T. L.; Pobedimskaya, E. A.; Fundamenskii, V. S.; Nadezhina, T. N.; Khomyakov, A. P.","The crystal structure of barentsite Note: y(O1) corrected","Doklady Akademii Nauk SSSR","1983","273","","699","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""