# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-12T05:16:02+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Molecular Physics Reports') AND volume = 34 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
"1531408","7.69","","3.883","","11.737","","90","","90","","90","","350.47","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Y Ba2 Cu3 O6.5","","- Ba2 Cu3 O6.5 Y -","- Ba2 Cu3 O6.5 Y -","- Ba4 Cu6 O13 Y2 -","2","0.25","","Grybos, J.; Typek, J.; Guskos, N.; Wabia, M.","Main- and superstructure by X-ray scattering for annealed single crystal of Y Ba2 Cu3 O6.5","Molecular Physics Reports","2001","34","","121","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531411","7.684","","3.886","","11.777","","90","","90","","90","","351.662","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Y Ba2 Cu3 O6.71","","- Ba2 Cu3 O6.71 Y -","- Ba2 Cu3 O6.71 Y -","- Ba4 Cu6 O13.42 Y2 -","2","0.25","","Grybos, J.; Guskos, N.; Wabia, M.; Typek, J.","Main- and superstructure by X-ray scattering for annealed single crystal of Y Ba2 Cu3 O6.5","Molecular Physics Reports","2001","34","","121","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""