# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T04:58:54+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I m c 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
"1502688","16.772","0.008","13.145","0.005","6.847","0.005","90","","90","","90","","1509.5","1.4","","","","","","","","","","","","4","I m c m","-I 2 2a","74","","","","- C8 Cr D4 O5 -","- C8 Cr D4 O5 -","- C32 Cr4 D16 O20 -","4","0.25","","Mulder, Fokko M.; Assfour, Bassem; Huot, Jacques; Dingemans, Theo J.; Wagemaker, Marnix; Ramirez-Cuesta, A. J.","Hydrogen in the Metal−Organic Framework Cr MIL-53","The Journal of Physical Chemistry C","2010","114","23","10648","","10.1021/jp102463p","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1529586","9.647","","14.93","","6.763","","90","","90","","90","","974.073","","","","","","","","","","","","","5","I m c m","-I 2 2a","74","","K2 Zn2 Be2 (Si O4) (Si2 O7)","","- Be2 K2 O11 Si3 Zn2 -","- Be2 K2 O11 Si3 Zn2 -","- Be8 K8 O44 Si12 Zn8 -","4","0.25","","Balko, V.P.; Bakakin, V.V.; Gatilov, Yu.V.; Pavlyuchenko, V.S.","The crystal structure of zinc and potassium beryllosilicate K2 Zn2 Be2 (Si O4)(Si2 O7)","Doklady Akademii Nauk SSSR","1979","249","","103","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1558932","16.022","0.003","5.4979","0.0007","5.3366","0.0009","90","","90","","90","","470.09","0.13","","","293","","","","","","","","","5","I m c m","-I 2 2a","74","LaCaCuGaO5 Brownmillerite-Related","","","- Ca Cu Ga La O5 -","- Ca Cu Ga La O5 -","- Ca4 Cu4 Ga4 La4 O20 -","4","0.25","","Kharlanov, Andrei L.; Bryntse, Ingrid; Antipov, Eugene V.; Luzikova, Anna V.","Crystal Structure of the Brownmillerite-Related Phase LaCaCuGaO5","Acta Chemica Scandinavica","1993","47","","434","438","10.3891/acta.chem.scand.47-0434","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.08","0.065","","","","1.23","","","","has coordinates,has disorder","255751","2020-10-21","18:00:00",""
"7233933","10.6047","0.0003","13.7982","0.0005","19.705","0.0007","90","","90","","90","","2883.35","0.17","293","2","293","2","","","","","","","","7","I m c m","-I 2 2a","74","","","","- C6 H4 Br8 Cd Mo6 N6 O2 -","- C6 Br8 Cd Mo6 N6 O2 -","- C24 Br32 Cd4 Mo24 N24 O8 -","4","0.25","","Maria Amela-Cortes; Stephane Cordier; Nikolay G. Naumov; Cristelle Meriadec; Franck Artzner; Yann Molard","Hexacyano octahedral metallic clusters as versatile building blocks in the design of extended polymeric framework and clustomesogens","Journal of Materials Chemistry C","2014","2","","9813","9823","10.1039/C4TC02098G","","","0.71073","MoKα","","0.0475","0.0344","","","0.0791","0.0828","","","","","","1.088","","","","has coordinates","218423","2020-10-21","18:00:00",""
"9009334","10.499","","13.913","","8.087","","90","","90","","90","","1181.29","","","","","","","","","","","","tertiary nephelinite-leucite volcanic rocks, Westeifel, W. Germany","9","I m c m","-I 2 2a","74","","","Batisite","- Ba0.63 Fe0.32 K1.07 Na1.3 Nb0.12 O14 Si4 Ti1.44 Zr0.12 -","- Ba0.63 Fe0.32 K1.07 Na1.3 Nb0.12 O14 Si4 Ti1.44 Zr0.12 -","- Ba2.52 Fe1.28 K4.28 Na5.2 Nb0.48 O56 Si16 Ti5.76 Zr0.48 -","4","0.25","","Schmahl, W. W.; Tillmanns, E.","Isomorphic substitutions, straight Si-O-Si geometry, and disorder of tetrahedral tilting in batisite, (Ba,K)(K,Na)Na(Ti,Fe,Nb,Zr)Si4O14 Locality: tertiary nephelinite-leucite volcanic rocks, Westeifel, W. Germany","Neues Jahrbuch fur Mineralogie, Monatshefte","1987","1987","","107","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""