# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-08-16T14:59:33+02:00
# 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 = 82 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
"1566645","4.5019","0.0005","7.7978","0.0008","7.328","0.0002","90","","90","","90","","257.25","0.04","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","ice XI","","- D2 O -","- D2 O -","- D16 O8 -","8","1","","Leadbetter, A. J.; Ward, R. C.; Clark, J. W.; Tucker, P. A.; Matsuo, T.; Suga, H.","The equilibrium low-temperature structure of ice","The Journal of Chemical Physics","1985","82","","424","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273839","2022-03-20","06:35:34",""