# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-11T09:19:00+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 'The 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
"1566658","4.6779","0.0005","4.6779","","6.8029","0.001","90","","90","","90","","148.87","0.03","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","ice VIII","","- D2 O -","- D2 O -","- D16 O8 -","8","0.25","","Jorgensen, J. D.; Beyerlein, R. A.; Watanabe, N.; Worlton, T. G.","Structure of D2O ice VIII from in situ powder neutron diffraction","The Journal of Chemical Physics","1984","81","","3211","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273854","2022-03-21","02:33:14",""
"1566659","6.1812","0.0005","6.1812","0.0005","5.698","0.0004","90","","90","","90","","217.7","0.03","","","","","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","ice VI","","","- D2 O -","- D2 O -","- D20 O10 -","10","0.625","","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","The Journal of Chemical Physics","1984","81","","3612","","","","","","","","0.103","","","","","","","","","","","","","","","has coordinates","273855","2022-03-21","04:20:03",""