# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-21T20:51:08+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 = 117 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
"1566636","12.91771","0.00016","12.91771","0.00016","6.22087","0.00012","90","","90","","120","","898.99","0.02","","","","","","","","","","","","2","R -3 :H","-R 3","148","ice II","","","- D2 O -","- D2 O -","- D72 O36 -","36","2","","Lobban, C.; Finney, J. L.; Kuhs, W. F.","The p-T dependency of the ice II crystal structure and the effect of helium inclusion","The Journal of Chemical Physics","2002","117","","3928","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273830","2022-03-20","03:05:02",""