# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-24T16:30:26+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'B b 21 m' 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
"1001009","35.292","0.005","17.943","0.005","7.746","0.001","90","","90","","90","","4905.1","","","","","","","","","","","","","3","B b 21 m","B -2 -2b","36","","Lead diniobium oxide","","- Nb2 O6 Pb -","- Nb2 O6 Pb -","- Nb80 O240 Pb40 -","40","5","","Labbe, P; Frey, M; Raveau, B; Monier, J C","Structure cristalline de la phase ferroelectrique du niobate de plomb Pb Nb~2~ O~6~ . Deplacements des atomes metalliques et interpretation de la surstructure","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2201","2212","10.1107/S0567740877008012","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1521507","14.022","","16.45","","14.355","","90","","90","","90","","3311.15","","","","","","","","","","","","","4","B b 21 m","B -2 -2b","36","","Pb0.919 ((U O2)4 O2.838 (O H)4.162) (H2 O)4","","- H12.162 O19 Pb0.919 U4 -","- O19 Pb0.919 U4 -","- O152 Pb7.352 U32 -","8","1","","Li, Y.-P.; Burns, P.C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite","Canadian Mineralogist","2000","38","","737","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521508","14.01","","16.468","","14.369","","90","","90","","90","","3315.17","","","","","","","","","","","","","4","B b 21 m","B -2 -2b","36","","Pb0.855 ((U O2)4 O2.710 (O H)4.290) (H2 O)4","","- H12.29 O19 Pb0.855 U4 -","- O19 Pb0.855 U4 -","- O152 Pb6.84 U32 -","8","1","","Li, Y.-P.; Burns, P.C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite","Canadian Mineralogist","2000","38","","737","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521509","13.938","","16.638","","14.672","","90","","90","","90","","3402.44","","","","","","","","","","","","","4","B b 21 m","B -2 -2b","36","","Pb0.497 ((U O2)4 O1.994 (O H)5.006) (H2 O)4","","- H13.006 O19 Pb0.497 U4 -","- O19 Pb0.497 U4 -","- O152 Pb3.976 U32 -","8","1","","Li, Y.-P.; Burns, P.C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite","Canadian Mineralogist","2000","38","","737","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1538548","5.44","","5.614","","6.12","","90","","90","","90","","186.906","","","","","","","","","","","","","2","B b 21 m","B -2 -2b","36","","D Br","","- Br D -","- Br D -","- Br4 D4 -","4","0.5","","Sandor, E.; Johnson, M.W.","Crystal structure and the lower phase transition in solid deuterium bromide","Nature (London)","1968","217","","541","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"2006894","9.292","0.001","13.731","0.001","18.639","0.002","90","","90","","90","","2378.1","0.4","293","2","293","2","","","","","","","","5","B b 21 m","B -2 -2b","36","","Di-u-acetatobis(dicarbonyl(3,5-dimethylpyrazole)ruthenium(I))","","- C18 H22 N4 O8 Ru2 -","- C18 H22 N4 O8 Ru2 -","- C72 H88 N16 O32 Ru8 -","4","0.5","TA1175","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Huang, Chao-Hao; Tung, Shu-Fang; Shiu, Kom-Bei","Di-μ-acetato-bis[dicarbonyl(pyrazole)ruthenium(I)] and Di-μ-acetato-bis[dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)]","Acta Crystallographica Section C","1997","53","12","1782","1784","10.1107/S0108270197012274","","","0.7093","MoKα","","0.054","0.05","","0.169","0.168","","","","1.199","1.242","1.242","","","","","has coordinates","191018","2020-10-21","18:00:00",""
"2008697","5.474","0.003","5.51","0.003","36.15","0.01","90","0.009","90","0.009","90","0.009","1090.3","0.9","293","","293","","","","","","","","","4","B b 21 m","B -2 -2b","36","","dicalcium disodium tetraniobium tridecaoxide","","- Ca2 Na2 Nb4 O13 -","- Ca2.01 Na1.99 Nb4 O13 -","- Ca8.04 Na7.96 Nb16 O52 -","4","0.5","OA1080","Chiba, Koji; Ishizawa, Nobuo; Oishi, Shuji","A Ruddlesden‒Popper-type layered perovskite, Na~2~Ca~2~Nb~4~O~13~","Acta Crystallographica Section C","1999","55","7","1041","1044","10.1107/S0108270199001134","","","0.7107","MoKα","","0.044","0.044","","0.026","0.026","","","","1.993","1.993","1.993","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2102070","14.37","0.002","15.518","0.002","14.265","0.002","90","","90","","90","","3181","0.8","293","2","293","2","","","","","","","","4","B b 21 m","B -2 -2b","36","","","","- K3 Nd O15 Si6 -","- K3.5 Nd O15 Si6 -","- K28 Nd8 O120 Si48 -","8","1","BS0008","Haile, S. M.; Wuensch, B. J.","Structure, phase transitions and ionic conductivity of K~3~NdSi~6~O~15~·<i>x</i>H~2~O. II. Structure of β-K~3~NdSi~6~O~15~","Acta Crystallographica Section B","2000","56","3","349","362","10.1107/S0108768199015797","","","0.71073","MoKα","","0.0419","0.0416","","0.1178","","0.1174","","","1.129","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2108043","75.817","0.0006","7.6752","0.0007","5.7686","0.0003","90","","90","","90","","3356.8","0.4","","","","","","","","","","","","3","B b 21 m","B -2 -2b","36","2/1 Mullite","","","- Al4.8 O9.6 Si1.2 -","- Al96 O192 Si24 -","- Al96 O192 Si24 -","1","0.125","","Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon","Ordered vacancy distribution in 2/1 mullite: a superspace model","Acta Crystallographica Section B","2017","73","3","","","10.1107/S2052520617001652","","","","","","","","","","","","","","","","","","","","","has coordinates","196647","2020-10-21","18:00:00",""
"4107896","18.99784","","5.38025","","8.43848","","90","","90","","90","","862.523","","","","","","","","","","","","","3","B b 21 m","B -2 -2b","36","","","","- Ba Fe2 O4 -","- Ba Fe2 O4 -","- Ba8 Fe16 O32 -","8","1","","Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky","Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments","Journal of the American Chemical Society","2008","130","","7570","7583","10.1021/ja077762f","powder diffraction","x-ray","1.78896","","","","","","","","","0.08315","","1.11","","","","","","","has coordinates,has Fobs","178824","2020-10-21","18:00:00",""
"4340711","35.2811","0.0003","17.96624","0.00015","7.74968","0.00006","90","","90","","90","","4912.28","0.07","300","","300","","","","","","","","","4","B b 21 m","B -2 -2b","36","Pb2K0.5Nb5O15","","","- K0.5 Nb5 O15 Pb2 -","- K0.5 Nb5 O15 Pb2 -","- K8 Nb80 O240 Pb32 -","16","2","","Lin, Kun; Rong, Yangchun; Wu, Hui; Huang, Qingzhen; You, Li; Ren, Yang; Fan, Longlong; Chen, Jun; Xing, Xianran","Ordered Structure and Thermal Expansion in Tungsten Bronze Pb2K0.5Li0.5Nb5O15.","Inorganic chemistry","2014","53","17","9174","9180","10.1021/ic501189n","powder diffraction","","1.5403","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.2529","1.96","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"9000093","42.28","","23.46","","8.07","","90","","90","","90","","8004.54","","","","","","","","","","","","Pribram, Bohemia","3","B b 21 m","B -2 -2b","36","","","Boulangerite","- Pb4.5 S11 Sb4.5 -","- Pb4.5 S11 Sb4.5 -","- Pb36 S88 Sb36 -","8","1","","Born, L.; Hellner, E.","A structural proposal for boulangerite","American Mineralogist","1960","45","","1266","1271","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9001516","6.078","","9.157","","15.114","","90","","90","","90","","841.189","","","","","","","","","","","","","4","B b 21 m","B -2 -2b","36","","","Tengerite-(Y)","- C3 H2 O11 Y2 -","- C3 H2 O11 Y2 -","- C12 H8 O44 Y8 -","4","0.5","","Miyawaki, R.; Kuriyama, J.; Nakai, I.","The redefinition of tengerite-(Y), Y2(CO3)3.2-3H2O, and its crystal structure","American Mineralogist","1993","78","","425","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9004579","14.01","","16.401","","14.317","","90","","90","","90","","3289.73","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","B b 21 m","B -2 -2b","36","","","Fourmarierite","- H10 O19 Pb U4 -","- H10 O19 Pb U4 -","- H80 O152 Pb8 U32 -","8","1","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite Note: sample CMCNC 81096","The Canadian Mineralogist","2000","38","","737","749","10.2113/gscanmin.38.3.737","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004580","14.014","","16.419","","14.33","","90","","90","","90","","3297.27","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","B b 21 m","B -2 -2b","36","","","Fourmarierite","- H10 O19 Pb U4 -","- H10 O19 Pb U4 -","- H80 O152 Pb8 U32 -","8","1","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite Note: sample CMCNC 81097","The Canadian Mineralogist","2000","38","","737","749","10.2113/gscanmin.38.3.737","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004581","14.013","","16.42","","14.329","","90","","90","","90","","3297.01","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","B b 21 m","B -2 -2b","36","","","Fourmarierite","- H10 O19 Pb U4 -","- H10 O19 Pb U4 -","- H80 O152 Pb8 U32 -","8","1","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite Note: sample CMNMC 81098","The Canadian Mineralogist","2000","38","","737","749","10.2113/gscanmin.38.3.737","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004582","14.014","","16.412","","14.322","","90","","90","","90","","3294.03","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","B b 21 m","B -2 -2b","36","","","Fourmarierite","- H10 O19 Pb U4 -","- H10 O19 Pb U4 -","- H80 O152 Pb8 U32 -","8","1","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite Note: sample CMNMC 81099","The Canadian Mineralogist","2000","38","","737","749","10.2113/gscanmin.38.3.737","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004583","14.022","","16.45","","14.355","","90","","90","","90","","3311.15","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","B b 21 m","B -2 -2b","36","","","Fourmarierite","- H10 O19 Pb U4 -","- H10 O19 Pb U4 -","- H80 O152 Pb8 U32 -","8","1","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite Note: sample CMNMC 81100","The Canadian Mineralogist","2000","38","","737","749","10.2113/gscanmin.38.3.737","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004584","14.02","","16.441","","14.348","","90","","90","","90","","3307.25","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","B b 21 m","B -2 -2b","36","","","Fourmarierite","- H10 O19 Pb U4 -","- H10 O19 Pb U4 -","- H80 O152 Pb8 U32 -","8","1","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite Note: sample CMNMC 53066","The Canadian Mineralogist","2000","38","","737","749","10.2113/gscanmin.38.3.737","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004585","14.02","","16.425","","14.334","","90","","90","","90","","3300.81","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","B b 21 m","B -2 -2b","36","","","Fourmarierite","- H10 O19 Pb U4 -","- H10 O19 Pb U4 -","- H80 O152 Pb8 U32 -","8","1","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite Note: sample M30767","The Canadian Mineralogist","2000","38","","737","749","10.2113/gscanmin.38.3.737","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004586","14","","16.417","","14.357","","90","","90","","90","","3299.78","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","B b 21 m","B -2 -2b","36","","","Fourmarierite","- H10 O19 Pb U4 -","- H10 O19 Pb U4 -","- H80 O152 Pb8 U32 -","8","1","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite Note: sample M31669","The Canadian Mineralogist","2000","38","","737","749","10.2113/gscanmin.38.3.737","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004587","14.018","","16.468","","14.368","","90","","90","","90","","3316.83","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","B b 21 m","B -2 -2b","36","","","Fourmarierite","- H10 O19 Pb U4 -","- H10 O19 Pb U4 -","- H80 O152 Pb8 U32 -","8","1","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite Note: sample CMNMC 81103","The Canadian Mineralogist","2000","38","","737","749","10.2113/gscanmin.38.3.737","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004588","14.024","","16.42","","14.338","","90","","90","","90","","3301.67","","","","","","","","","","","","","4","B b 21 m","B -2 -2b","36","","","Fourmarierite","- H10 O19 Pb U4 -","- H10 O19 Pb U4 -","- H80 O152 Pb8 U32 -","8","1","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite Sample: UMN753","The Canadian Mineralogist","2000","38","","737","749","10.2113/gscanmin.38.3.737","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004589","14.01","","16.468","","14.369","","90","","90","","90","","3315.17","","","","","","","","","","","","Shaba, Democratic Republic of Congo","4","B b 21 m","B -2 -2b","36","","","Fourmarierite","- H10 O19 Pb U4 -","- H10 O19 Pb U4 -","- H80 O152 Pb8 U32 -","8","1","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite Note: sample UMN486","The Canadian Mineralogist","2000","38","","737","749","10.2113/gscanmin.38.3.737","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004590","14.026","","16.476","","14.382","","90","","90","","90","","3323.57","","","","","","","","","","","","Shaba, Democratic Republic of Congo","4","B b 21 m","B -2 -2b","36","","","Fourmarierite","- H10 O19 Pb U4 -","- H10 O19 Pb U4 -","- H80 O152 Pb8 U32 -","8","1","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite Note: sample CMNMC 81101","The Canadian Mineralogist","2000","38","","737","749","10.2113/gscanmin.38.3.737","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004591","13.938","","16.638","","14.672","","90","","90","","90","","3402.44","","","","","","","","","","","","","4","B b 21 m","B -2 -2b","36","","","Fourmarierite","- H10 O19 Pb U4 -","- H10 O19 Pb U4 -","- H80 O152 Pb8 U32 -","8","1","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. II. Fourmarierite Sample: Synthetic","The Canadian Mineralogist","2000","38","","737","749","10.2113/gscanmin.38.3.737","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9016437","5.053","","5.373","","5.825","","90","","90","","90","","158.147","","","","","","","","","","","","synthetic, note this is the deuterated structure","2","B b 21 m","B -2 -2b","36","","","","- Cl H -","- Cl H -","- Cl4 H4 -","4","0.5","","Sandor, E.; Farrow, R. F. C.","Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 77.4 K","Nature","1967","213","","171","172","10.1038/213171a0","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""