# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-22T02:53:57+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 = 112 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
"1566638","6.676","0.0003","6.676","0.0003","6.955","0.0004","90","","90","","90","","309.98","0.03","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","ice III","","","- D2 O -","- D2 O -","- D24 O12 -","12","1.5","","Lobban, C.; Finney, J. L.; Kuhs, W. F.","The structure and ordering of ices III and V","The Journal of Chemical Physics","2000","112","","7169","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273832","2022-03-20","04:18:35",""
"1566639","9.0926","0.0004","7.5409","0.0004","10.2547","0.0005","90","","109.144","0.004","90","","664.24","0.06","","","","","","","","","","","","2","A 1 2/a 1","-A 2ya","15","ice V","","","- D2 O -","- D2 O -","- D56 O28 -","28","3.5","","Lobban, C.; Finney, J. L.; Kuhs, W. F.","The structure and ordering of ices III and V","The Journal of Chemical Physics","2000","112","","7169","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273833","2022-03-20","04:32:57",""