# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T14:59:34+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 'Journal of Chemical Physics') AND volume = 49 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
"1537669","6.353","","6.353","","6.353","","90","","90","","90","","256.411","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- D2 O -","- D2 O -","- D16 O8 -","8","0.0416667","","Arnold, G.P.; Finch, E.D.; Wenzel, R.G.; Rabideau, S.W.","Neutron-diffraction study of ice polymorphs. III. Ice Ic","Journal of Chemical Physics","1968","49","","4365","4369","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9012471","5.5","","3.28","","10.01","","90","","134.66","","90","","128.445","","","","23","","","","","","","","Synthetic","1","C 1 2/m 1","-C 2y","12","","","Fluorine","- F2 -","- F2 -","- F8 -","4","0.5","","Meyer, L.; Barrett, C. S.; Greer, S. C.","Crystal structure of alpha-fluorine Sample: at T = 23 K Note: alpha phase, stable between T = 0 K & 45.6 K","Journal of Chemical Physics","1968","49","","1902","1907","10.1063/1.1670323","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""