# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-25T06:14:58+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 Physical Chemistry') AND volume = 67 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
"1008065","6.64","","7.33","","6.4","","90","","92.67","","90","","311.2","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Xenon difluoride xenon tetrafluoride","","- F6 Xe2 -","- F6 Xe2 -","- F12 Xe4 -","2","0.5","","Burns, J H; Ellison, R D; Levy, H A","The crystal structure of the molecular addition compound xenon difluoride-xenon tetrafluoride","Journal of Physical Chemistry","1963","67","","1569","1570","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1527182","7.865","","4.731","","9.421","","90","","90","","90","","350.549","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba Cl2 -","- Ba Cl2 -","- Ba4 Cl8 -","4","0.5","","Brackett, E.B.; Brackett, T.E.; Sass, R.L.","The crystal structures of barium chloride, barium bromide and barium iodide","Journal of Physical Chemistry","1963","67","","2132","2135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527183","8.276","","4.956","","9.919","","90","","90","","90","","406.836","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba Br2 -","- Ba Br2 -","- Ba4 Br8 -","4","0.5","","Brackett, E.B.; Brackett, T.E.; Sass, R.L.","The crystal structures of barium chloride, barium bromide and barium iodide","Journal of Physical Chemistry","1963","67","","2132","2135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527184","8.922","","5.304","","10.695","","90","","90","","90","","506.112","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba I2 -","- Ba I2 -","- Ba4 I8 -","4","0.5","","Brackett, E.B.; Brackett, T.E.","The crystal structures of barium chloride, barium bromide and barium iodide","Journal of Physical Chemistry","1963","67","","2132","2135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527389","3.84","","3.84","","12.98","","90","","90","","90","","191.398","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr2 Fe O3 F","","- F Fe O3 Sr2 -","- F Fe O3 Sr2 -","- F2 Fe2 O6 Sr4 -","2","0.0625","","Galasso, F.; Darby, W.","Preparation and properties of Sr2 Fe O3 F","Journal of Physical Chemistry","1963","67","","1451","1453","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528845","11.633","","11.633","","7.155","","90","","90","","90","","968.262","","","","","","","","","","","","","2","P 4/n :2","-P 4a","85","","Sr Br2","","- Br2 Sr -","- Br2 Sr -","- Br20 Sr10 -","10","1.25","","Sass, R.L.; Brackett, T.E.; Brackett, E.B.","The crystal structure of strontium bromide","Journal of Physical Chemistry","1963","67","","2862","2863","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""