# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T12:10:42+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 309 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
"1007188","14.815","0.008","8.882","0.005","10.02","0.005","90","","129.15","0.05","90","","1022.5","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Telluric acid urea (1/2)","","- C2 H14 N4 O8 Te -","- C2 H14 N4 O8 Te -","- C8 H56 N16 O32 Te4 -","4","0.5","","Averbuch-Pouchot, M.-T.; Durif, A.","Determination des liaisons hydrogene dans le compose d'addition uree- acide tellurique: Te(OH)~6~(CO(NH~2~)~2~)~2~","Comptes Rendus des Seances de l'Academie des Sciences, Serie 2: Mecanique-Physique, Chimie, Sciences de l'Univers, Sciences de la Terre","1989","309","","25","28","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","199771","2020-10-21","18:00:00",""
"1008449","14.59","0.01","14.59","0.01","14.59","0.01","90","","90","","90","","3105.7","","","","","","","","","","","","","5","I a -3","-I 2b 2c 3","206","","Tris(guanidinium) diberyllium fluoride","","- C3 H18 Be2 F7 N9 -","- C3 H18 Be2 F7 N9 -","- C24 H144 Be16 F56 N72 -","8","0.166667","","Aleonard, S; Gorius, M","Structure cristalline du pyrofluoroberyllate de guanidinium (C N~3~ H~6~)~3~ Be~2~ F~7~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1989","309","","683","687","","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511103","3.934","","3.934","","3.934","","90","","90","","90","","60.884","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sc Rh3 B0.21","","- B0.21 Rh3 Sc -","- B0.21 Rh3 Sc -","- B0.21 Rh3 Sc -","1","0.0208333","","Higashi, I.; Naka, T.; Horiuchi, H.; Oku, M.; Fukuda, T.; Kudou, K.; Isida, S.; Sasaki, T.; Ye, J.-H.; Okkada, S.; Shishido, T.; Kishi, H.","Synthesis and characterization of the nonstoichiometric perovskite-type compound Sc Rh3 Bx","Journal of Alloys Compd.","2000","309","","107","112","10.1016/S0925-8388(00)01048-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511193","3.973","","3.973","","3.973","","90","","90","","90","","62.713","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sc Rh3 B0.444","","- B0.444 Rh3 Sc -","- B0.444 Rh3 Sc -","- B0.444 Rh3 Sc -","1","0.0208333","","Horiuchi, H.; Naka, T.; Oku, M.; Shishido, T.; Ye, J.-H.; Okkada, S.; Kudou, K.; Higashi, I.; Fukuda, T.; Kishi, H.; Sasaki, T.; Isida, S.","Synthesis and characterization of the nonstoichiometric perovskite-type compound Sc Rh3 Bx","Journal of Alloys Compd.","2000","309","","107","112","10.1016/S0925-8388(00)01048-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511298","4.019","","4.019","","4.019","","90","","90","","90","","64.916","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sc Rh3 B0.706","","- B0.706 Rh3 Sc -","- B0.706 Rh3 Sc -","- B0.706 Rh3 Sc -","1","0.0208333","","Sasaki, T.; Naka, T.; Isida, S.; Oku, M.; Shishido, T.; Kishi, H.; Fukuda, T.; Kudou, K.; Higashi, I.; Horiuchi, H.; Ye, J.-H.; Okkada, S.","Synthesis and characterization of the nonstoichiometric perovskite-type compound Sc Rh3 Bx","Journal of Alloys Compd.","2000","309","","107","112","10.1016/S0925-8388(00)01048-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1520968","6.4662","","6.4662","","6.717","","90","","90","","120","","243.223","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","","","- Gd H3 -","- Gd H3 -","- Gd6 H18 -","6","0.5","","Ellner, M.; Mittemeijer, E.J.; Reule, H.","The structure of the trihydride Gd H3","Journal of Alloys Compd.","2000","309","","127","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521113","10.0082","","3.3771","","11.8173","","90","","90","","90","","399.409","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr Tm2 O4","","- O4 Sr Tm2 -","- O4 Sr Tm2 -","- O16 Sr4 Tm8 -","4","0.5","","Han, C.Q.; Chen, X.L.; Liang, J.K.; Chen, Y.; Liu, Q.L.; Rao, G.-H.","The ternary system Tm2 O3 - Sr O - Cu O : compounds and phase relations","Journal of Alloys Compd.","2000","309","","95","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521436","9.3864","","9.3864","","26.55","","90","","90","","120","","2025.79","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Zr Cr2 D3.765","","- Cr2 D3.765 Zr -","- Cr2 D3.765 Zr -","- Cr72 D135.54 Zr36 -","36","1","","Kohlmann, H.; Yvon, K.","Revision of the low-temperature structures of rhombohedral Zr Cr2 Dx (x = 3.8), and monoclinic Zr V2 Dx (1.1 < x < 2.3) and Hf V2 Dx (x = 1.9)","Journal of Alloys Compd.","2000","309","","123","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521437","9.3576","","5.426","","9.3729","","90","","109.198","","90","","449.437","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Zr V2 D2.26","","- D2.26 V2 Zr -","- D2.26 V2 Zr -","- D18.08 V16 Zr8 -","8","1","","Kohlmann, H.; Yvon, K.","Revision of the low-temperature structures of rhombohedral Zr Cr2 Dx (x = 3.8), and monoclinic Zr V2 Dx (1.1 < x < 2.3) and Hf V2 Dx (x = 1.9)","Journal of Alloys Compd.","2000","309","","123","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521438","9.2322","","5.3622","","9.2454","","90","","109.034","","90","","432.668","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Hf V2 D1.78","","- D1.78 Hf V2 -","- D1.78 Hf V2 -","- D14.24 Hf8 V16 -","8","1","","Kohlmann, H.; Yvon, K.","Revision of the low-temperature structures of rhombohedral Zr Cr2 Dx (x = 3.8), and monoclinic Zr V2 Dx (1.1 < x < 2.3) and Hf V2 Dx (x = 1.9)","Journal of Alloys Compd.","2000","309","","123","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521439","9.3309","","5.4164","","9.3475","","90","","109.095","","90","","446.428","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Zr V2 D1.75","","- D1.75 V2 Zr -","- D1.75 V2 Zr -","- D14 V16 Zr8 -","8","1","","Kohlmann, H.; Yvon, K.","Revision of the low-temperature structures of rhombohedral Zr Cr2 Dx (x = 3.8), and monoclinic Zr V2 Dx (1.1 < x < 2.3) and Hf V2 Dx (x = 1.9)","Journal of Alloys Compd.","2000","309","","123","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521440","9.2696","","5.3857","","9.2882","","90","","109.04","","90","","438.329","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Zr V2 D1.54","","- D1.54 V2 Zr -","- D1.54 V2 Zr -","- D12.32 V16 Zr8 -","8","1","","Kohlmann, H.; Yvon, K.","Revision of the low-temperature structures of rhombohedral Zr Cr2 Dx (x = 3.8), and monoclinic Zr V2 Dx (1.1 < x < 2.3) and Hf V2 Dx (x = 1.9)","Journal of Alloys Compd.","2000","309","","123","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521441","9.243","","5.368","","9.261","","90","","109.1","","90","","434.202","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Zr V2 D1.14","","- D1.14 V2 Zr -","- D1.14 V2 Zr -","- D9.12 V16 Zr8 -","8","1","","Kohlmann, H.; Yvon, K.","Revision of the low-temperature structures of rhombohedral Zr Cr2 Dx (x = 3.8), and monoclinic Zr V2 Dx (1.1 < x < 2.3) and Hf V2 Dx (x = 1.9)","Journal of Alloys Compd.","2000","309","","123","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521523","7.9502","","7.9502","","7.9502","","90","","90","","90","","502.498","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","W (P2 O7)","","- O7 P2 W -","- O7 P2 W -","- O28 P8 W4 -","4","0.166667","","Lisnyak, V.V.; Stus', N.V.; Belyavina, N.M.; Slobodyanik, N.S.; Markiv, V.Ya.","Crystal structure of a novel cubic pyrophosphate W P2 O7","Journal of Alloys Compd.","2000","309","","83","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521966","7.626","","7.626","","6.515","","90","","90","","90","","378.886","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Th2 Al D3.71","","- Al D3.71 Th2 -","- Al D3.708 Th2 -","- Al4 D14.832 Th8 -","4","0.125","","Sorby, M.H.; Fjellvag, H.; Hauback, B.C.; Maeland, A.J.; Yartys', V.A.","Crystal structure of Th2 Al deuterides","Journal of Alloys Compd.","2000","309","","154","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521967","7.6796","","7.6796","","19.073","","90","","90","","90","","1124.85","","","","","","","","","","","","","3","P -4 2 m","P -4 2","111","","Th2 Al D2.75","","- Al D2.75 Th2 -","- Al D2.75 Th2 -","- Al12 D33 Th24 -","12","1.5","","Sorby, M.H.; Yartys', V.A.; Fjellvag, H.; Maeland, A.J.; Hauback, B.C.","Crystal structure of Th2 Al deuterides","Journal of Alloys Compd.","2000","309","","154","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521968","7.7014","","7.7014","","6.2816","","90","","90","","90","","372.572","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Th2 Al D2.29","","- Al D2.29 Th2 -","- Al D2.292 Th2 -","- Al4 D9.168 Th8 -","4","0.125","","Sorby, M.H.; Fjellvag, H.; Hauback, B.C.; Yartys', V.A.; Maeland, A.J.","Crystal structure of Th2 Al deuterides","Journal of Alloys Compd.","2000","309","","154","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522281","6.411","","3.817","","7.356","","90","","90","","90","","180.007","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Nb Pt Si -","- Nb Pt Si -","- Nb4 Pt4 Si4 -","4","0.5","","Yashiro, S.; Kasahi, A.; Kasai, R.; Nagata, Y.; Samata, H.","New equiatomic silicides of M M' Si (M = Nb, Ta; M' = Pt, Rh) and superconductivity of Ta1-x Nbx Pt Si","Journal of Alloys Compd.","2000","309","","51","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522283","6.376","","3.743","","7.283","","90","","90","","90","","173.811","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Nb Rh Si -","- Nb Rh Si -","- Nb4 Rh4 Si4 -","4","0.5","","Yashiro, S.; Kasahi, A.; Samata, H.; Kasai, R.; Nagata, Y.","New equiatomic silicides of M M' Si (M = Nb, Ta; M' = Pt, Rh) and superconductivity of Ta1-x Nbx Pt Si","Journal of Alloys Compd.","2000","309","","51","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522285","6.366","","3.747","","7.298","","90","","90","","90","","174.082","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ta Rh Si","","- Rh Si Ta -","- Rh Si Ta -","- Rh4 Si4 Ta4 -","4","0.5","","Yashiro, S.; Kasai, R.; Kasahi, A.; Nagata, Y.; Samata, H.","New equiatomic silicides of M M' Si (M = Nb, Ta; M' = Pt, Rh) and superconductivity of Ta1-x Nbx Pt Si","Journal of Alloys Compd.","2000","309","","51","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522313","12.161","","12.161","","12.161","","90","","90","","90","","1798.49","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Zr3 V3 O0.67","","- O0.67 V3 Zr3 -","- O0.67 V3 Zr3 -","- O10.72 V48 Zr48 -","16","0.0833333","","Zavaliy, I.Yu.; Yelon, W.B.; Zavalii, P.Yu.; Pecharskii, V.K.; Saldan, I.V.","The crystal structure of the oxygen-stabilized eta-phase Zr3 V3 Ox D9.6","Journal of Alloys Compd.","2000","309","","75","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","142535","2020-10-21","18:00:00",""
"1522315","13.0264","","13.0264","","13.0264","","90","","90","","90","","2210.41","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Zr3 V3 O0.31 D9.566","","- D9.566 O0.31 V3 Zr3 -","- D9.566 O0.31 V3 Zr3 -","- D153.056 O4.96 V48 Zr48 -","16","0.0833333","","Zavaliy, I.Yu.; Yelon, W.B.; Zavalii, P.Yu.; Pecharskii, V.K.; Saldan, I.V.","The crystal structure of the oxygen-stabilized eta-phase Zr3 V3 Ox D9.6","Journal of Alloys Compd.","2000","309","","75","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","142537","2020-10-21","18:00:00",""
"1522317","13.0258","","13.0258","","13.0258","","90","","90","","90","","2210.11","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Zr3 V3 O0.24 D9.566","","- D9.566 O0.24 V3 Zr3 -","- D9.566 O0.24 V3 Zr3 -","- D153.056 O3.84 V48 Zr48 -","16","0.0833333","","Zavaliy, I.Yu.; Yelon, W.B.; Pecharskii, V.K.; Zavalii, P.Yu.; Saldan, I.V.","The crystal structure of the oxygen-stabilized eta-phase Zr3 V3 Ox D9.6","Journal of Alloys Compd.","2000","309","","75","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","142539","2020-10-21","18:00:00",""
"1529902","17.266","","9.738","","17.092","","90","","111.03","","90","","2682.37","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Li Zn (P O4)","","- Li O4 P Zn -","- Li O4 P Zn -","- Li32 O128 P32 Zn32 -","32","8","","Elfakir, A.; Souron, J.P.; Robert, F.; Quarton, M.","Structure cristalline de l'orthophosphate Li Zn P O4","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1989","309","","199","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537335","5.691","","5.691","","10.05","","90","","90","","120","","281.886","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- K3 P -","- K3 P -","- K6 P2 -","2","0.0833333","","Gnutzmann, G.; Dorn, F.W.; Klemm, W.","Ueber einige A3 B - und A B2 - Verbindungen der schweren Alkalimetalle mit Elementen der V.Gruppe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1961","309","","210","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537336","6.052","","6.052","","10.73","","90","","90","","120","","340.352","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Rb3 As","","- As Rb3 -","- As Rb3 -","- As2 Rb6 -","2","0.0833333","","Gnutzmann, G.; Dorn, F.W.; Klemm, W.","Ueber einige A3 B - und A B2 - Verbindungen der schweren Alkalimetalle mit Elementen der V.Gruppe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1961","309","","210","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537425","3.803","","3.803","","19.89","","90","","90","","120","","249.125","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Na In S2","","- In Na S2 -","- In Na S2 -","- In3 Na3 S6 -","3","0.0833333","","Hoppe, R.; Lidecke, W.; Frorath, F.C.","Zur Kenntnis von Na In S2 und Na In Se2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1961","309","","49","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537426","3.972","","3.972","","20.89","","90","","90","","120","","285.422","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Na In Se2","","- In Na Se2 -","- In Na Se2 -","- In3 Na3 Se6 -","3","0.0833333","","Hoppe, R.; Lidecke, W.; Frorath, F.C.","Zur Kenntnis von Na In S2 und Na In Se2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1961","309","","49","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9009218","3.9299","","3.9299","","3.9299","","90","","90","","90","","60.694","","","","300","","","","271000000","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.166667","","Kuwayama, Y.; Hirose, K.; Sata, N.; Ohishi, Y.","The pyrite-type high-pressure form of silica Sample: P = 271 GPa, T = 300 K","Science","2005","309","","923","925","10.1126/science.1114879","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""