# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T12:37:08+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'B m m b' 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
"2103827","9.4157","0.0019","26.124","0.005","7.2034","0.0014","90","","90","","90","","1771.9","0.6","286","1","286","1","","","","","","","","4","B m m b","-B 2b 2","63","urotropin azelate","","","- C15 H28 N4 O4 -","- C15 H28 N4 O4 -","- C60 H112 N16 O16 -","4","0.25","LC0055","Bonin, Michel; Welberry, T. Richard; Hostettler, Marc; Gardon, Manuel; Birkedal, Henrik; Chapuis, Gervais; Möckli, Pedro; Ogle, Craig A.; Schenk, Kurt J.","Urotropin azelate: a rather unwilling co-crystal","Acta Crystallographica Section B","2003","59","1","72","86","10.1107/S0108768102022164","","","0.71073","MoKα","","0.0674","0.0407","","","0.1076","0.1263","","","","","","0.912","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103906","9.3593","0.0019","29.257","0.006","7.2982","0.0015","90","","90","","90","","1998.4","0.7","323","2","323","2","","","","","","","","4","B m m b","-B 2b 2","63","","","","- C17 H32 N4 O4 -","- C17 H32 N4 O4.0016 -","- C68 H128 N16 O16.0064 -","4","0.25","NA0146","Pinheiro, Carlos Basílio; Gardon, Manuel; Chapuis, Gervais","Structural changes of hexamethylenetetramine and undecanedioic acid co-crystal (HMT-C11) as a function of the temperature","Acta Crystallographica Section B","2003","59","3","416","427","10.1107/S0108768103007754","","","0.71073","MoKα","","0.0857","0.0727","","","0.2296","0.2438","","","","","","1.193","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103931","9.3962","0.0019","22.981","0.005","7.3338","0.0015","90","","90","","90","","1583.6","0.6","324","1","324","1","","","","","","","","4","B m m b","-B 2b 2","63","","","","- C13 H24 N4 O4 -","- C13 H24 N4 O4 -","- C52 H96 N16 O16 -","4","0.25","NA5003","Gardon, Manuel; Pinheiro, Carlos B.; Chapuis, Gervais","Structural phases of hexamethylenetetramine‒pimelic acid (1/1): a unified description based on a stacking model","Acta Crystallographica Section B","2003","59","4","527","536","10.1107/S0108768103011297","","","0.71073","MoKα","","0.1939","0.0468","","","0.0647","0.0869","","","","","","0.707","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2310333","3.42","","4.32","","5.41","","90","","90","","90","","79.93","","","","","","","","","","","","","2","B m m b","-B 2b 2","63","","H F","","- F H -","- F -","- F4 -","4","0.25","","Atoji, M.; Lipscomb, W.N.","The crystal structure of hydrogen fluoride","Acta Crystallographica (1,1948-23,1967)","1954","7","","173","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031209","10.82","","10.96","","13.29","","90","","90","","90","","1576.02","","","","","","","","","","","","","4","B m m b","-B 2b 2","63","","As2 (Fe (C O)3)3","","- C9 As2 Fe3 O9 -","- C9 As2 Fe3 O9 -","- C36 As8 Fe12 O36 -","4","0.25","","Delbaere, L.T.J.; Kruczynski, L.J.; McBride, D.W.","X-Ray Structure Determination of a New Metal Cluster Complex: Di-mue3-arsino-tris(tricarbonyliron) (3 Fe - Fe)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1973","1973","","307","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344137","5.576","","5.559","","12.4929","","90","","90","","90","","387.242","","","","","","","","","","","","","4","B m m b","-B 2b 2","63","","Pb3 Te O4 Cl2","","- Cl2 O4 Pb3 Te -","- Cl2 O4 Pb3 Te -","- Cl4 O8 Pb6 Te2 -","2","0.125","","Porter, Y.; Halasyamani, P.S.","Syntheses, structures and characterization of new lead(II) - tellurium(IV) - oxide halides : Pb3 Te2 O6 X2 and Pb3 Te O4 X2 (X = Cl or Br)","Inorganic Chemistry","2003","42","","205","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7245134","8.286","0.0003","9.0586","0.0004","18.0168","0.0007","90","","90","","90","","1352.33","0.09","293","2","293","2","","","","","","","","6","B m m b","-B 2b 2","63","","","","- C7 H8 Cs Fe N7 O -","- C7 H8 Cs Fe N7 O -","- C28 H32 Cs4 Fe4 N28 O4 -","4","0.25","","Li, Qi-Yao; Li, Mao-Fan; Chen, Xiao-Xian; Gong, Ya-Ping; Liu, De-Xuan; Xu, Wei-Jian; Zhang, Wei-Xiong","Near-room-temperature dielectric switch and thermal expansion anomaly in a new hybrid crystal: (Me2NH2)[CsFe(CN)5(NO)]","CrystEngComm","2022","","","","","10.1039/D2CE00754A","","","0.71073","MoKα","","0.0298","0.0263","","","0.0678","0.0712","","","","","","1.106","","","","has coordinates,has disorder","276458","2022-06-30","22:36:11",""
"8104274","3.3994","","3.3994","","11.377","","90","","90","","90","","131.472","","","","","","","","","","","","","3","B m m b","-B 2b 2","63","","Na (O H)","","- H Na O -","- Na O -","- Na4 O4 -","4","0.25","","Stehr, H.","Neubestimmung der Kristallstrukturen des dimorphen Natriumhydroxids, NaOH, bei verschiedenen Temperaturen mit Röntgenstrahl- und Neutronenbeugung","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1967","125","","332","359","10.1524/zkri.1967.125.16.332","","","","","","","","","","","","","","","","","","","","","has coordinates","208257","2020-10-21","18:00:00",""
"9005039","16.031","","17.264","","13.605","","90","","90","","90","","3765.31","","","","","","","","","","","","","4","B m m b","-B 2b 2","63","","","Dewindtite","- O26 P2 Pb2 U3 -","- O26 P2 Pb2 U3 -","- O208 P16 Pb16 U24 -","8","0.5","","Piret, P.; Piret-Meunier J; Deliens, M.","Composition chimique et structure cristalline de la dewindtite Pb3[H(UO2)3O2(PO4)2]2.12H2O","European Journal of Mineralogy","1990","2","","399","405","10.1127/ejm/2/3/0399","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005067","15.835","","17.324","","13.724","","90","","90","","90","","3764.84","","","","","","","","","","","","","5","B m m b","-B 2b 2","63","","","Phosphuranylite","- Ca H26.34 O46 P4 U7 -","- Ca H28 O46 P4 U7 -","- Ca4 H112 O184 P16 U28 -","4","0.25","","Piret, P.; Piret-Meunier J","Composition chimique et structure cristalline de la phosphuranylite Ca(UO2)[(UO2)3(OH)2(PO4)2]2.12H2O","European Journal of Mineralogy","1991","3","","69","77","10.1127/ejm/3/1/0069","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007551","3.274","","16.157","","11.359","","90","","90","","90","","600.869","","","","","","","","","","","","","2","B m m b","-B 2b 2","63","","","","- Ni5.629 S4.86 -","- Ni5.629 S4.86 -","- Ni22.516 S19.44 -","4","0.25","","Fleet, M. E.","The crystal structure of alpha-Ni7S6","Acta Crystallographica, Section B","1972","28","","1237","1241","10.1107/S0567740872004029","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008154","7.76","","6.05","","7.36","","90","","90","","90","","345.537","","","","","","","","","","","","","3","B m m b","-B 2b 2","63","","","","- Ge Li4 O4 -","- Ge Li4 O4 -","- Ge4 Li16 O16 -","4","0.25","","Vollenkle, H.; Wittmann, A.","Die kristallstruktur von Li4GeO4","Zeitschrift fur Kristallographie","1969","128","","66","71","10.1524/zkri.1969.128.1-2.66","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9012425","5.627","","5.575","","12.425","","90","","90","","90","","389.779","","","","","","","","","","","","Langban, Sweden","4","B m m b","-B 2b 2","63","","","Perite","- Bi Cl O2 Pb -","- Bi Cl O2 Pb -","- Bi4 Cl4 O8 Pb4 -","4","0.25","","Gillberg, M.","Perite, a new oxyhalide mineral from Langban, Sweden","Arkiv for Mineralogi och Geologi","1960","2","","565","570","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9016150","5.5649","","5.5565","","12.475","","90","","90","","90","","385.744","","","","","","","","","","","","Otto Mountain, Baker, California","4","B m m b","-B 2b 2","63","","","Telluroperite","- Cl O2 Pb1.5 Te0.5 -","- Cl O2 Pb1.5 Te0.5 -","- Cl4 O8 Pb6 Te2 -","4","0.25","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: VI. Telluroperite, Pb3Te4+O4Cl2, the Te analog of perite and nadorite","American Mineralogist","2010","95","","1569","1573","10.2138/am.2010.3515","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017207","6.992","","6.999","","6.24","","90","","90","","90","","305.367","","","","","","","","","","","","Leopoldshall, East Germany","3","B m m b","-B 2b 2","63","","","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Hartman, P.","On the unit cell dimensions and bond lengths of anhydrite Note: this is a re-indexed structure of Hawthorne and Ferguson (1975)","European Journal of Mineralogy","1989","1","","721","722","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017279","7.03276","","7.02381","","6.32712","","90","","90","","90","","312.539","","","","648","","","","","","","","Salado formation at the WIPP site, Carlsbad, New Mexico, USA","3","B m m b","-B 2b 2","63","","","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Xu, H.; Guo, X.; Bai, J.","Thermal behavior of polyhalite: a high-temperature synchrotron XRD study Note: T = 648 K","Physics and Chemistry of Minerals","2017","44","","125","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017297","6.992","","6.999","","6.24","","90","","90","","90","","305.367","","","","","","","","","","","","Berchtesgaden, Germany","3","B m m b","-B 2b 2","63","","","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Morikawa, H.; Tomita, T.; Minato, I.; Iwai, S.","Anhydrite: a refinement","Acta Crystallographica, Section B","1975","31","","2164","2165","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""