# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T15:06:12+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 'Journal of Chemical Physics') AND volume = 81 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
"1530224","4.656","","4.656","","6.775","","90","","90","","90","","146.871","","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","","","- D2 O -","- D2 O -","- D16 O8 -","8","0.25","","Kuhs, W.F.; Finney, J.L.; Vettier, C.; Bliss, D.V.","Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction","Journal of Chemical Physics","1984","81","","3612","3623","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1566642","3.344","0.002","3.344","","3.344","","90","","90","","90","","37.39","0.02","","","","","","","","","","","","2","P n -3 m :2","-P 4bc 2bc 3","224","","Ice VII","","- D2 O -","- D4 O -","- D8 O2 -","2","0.0416667","","Kuhs, W. F.; Finney, J. L.; Vettier, C.; Bliss, D. V.","Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction","Journal of Chemical Physics","1984","81","","3612","","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","273836","2022-03-20","05:58:02",""
"1566643","4.669","0.003","4.669","","6.81","0.004","90","","90","","90","","148.46","0.13","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","Ice VIII","","- D2 O -","- D2 O -","- D16 O8 -","8","0.25","","Kuhs, W. F.; Finney, J. L.; Vettier, C.; Bliss, D. V.","Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction","Journal of Chemical Physics","1984","81","","3612","","","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","273837","2022-03-20","06:12:18",""