# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-29T13:32:06+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 'Journal of Chemical Physics') AND volume = 83 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
"1538611","3.3501","","3.3501","","3.3501","","90","","90","","90","","37.599","","","","295.15","","","","2600000","","","","","2","P n -3 m :2","-P 4bc 2bc 3","224","","","","- D2 O -","- D2 O -","- D4 O2 -","2","0.0416667","","Jorgensen, James D.; Worlton, Thomas G.","Disordered structure of D2O ice VII from in situ neutron powder diffraction","Journal of Chemical Physics","1985","83","1","329","333","10.1063/1.449867","powder diffraction","","","","","","","","","","","","","","","","","","1566716","","has coordinates","275303","2022-05-10","15:00:47",""
"1566716","3.3501","0.0001","3.3501","","3.3501","","90","","90","","90","","37.5987","0.0011","","","295.15","","","","2600000","","","","","2","P n -3 m :2","-P 4bc 2bc 3","224","","Ice VII","","- D2 O -","- D2 O -","- D4 O2 -","2","0.0416667","","Jorgensen, James D.; Worlton, Thomas G.","Disordered structure of D2O ice VII from in situ neutron powder diffraction","Journal of Chemical Physics","1985","83","1","329","333","10.1063/1.449867","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","275303","2022-05-10","15:00:48",""