# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T13:58:58+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 = 1 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
"1011016","7.51","0.04","9.7","0.04","3.53","0.03","90","","93.32","","90","","256.7","","","","","","","","","","","","synthetic by evaporation","4","P 1 21/n 1","-P 2yn","14","","Sodium hydrogen carbonate","Nahcolite","- C H Na O3 -","- C H Na O3 -","- C4 H4 Na4 O12 -","4","1","","Zachariasen, W. H.","The Crystal Lattice of Sodium Bicarbonate, Na H C O3","Journal of Chemical Physics","1933","1","","634","639","10.1063/1.1749342","","","","","","","","","","","","","","","","","","","","","has coordinates","205222","2020-10-21","18:00:00",""
"1011023","7.82","","7.82","","7.36","","90","","90","","120","","389.8","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","Dihydrogen oxide","Ice Ih","- H2 O -","- H2 O -","- H24 O12 -","12","1","","Bernal, J D; Fowler, R H","A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions","Journal of Chemical Physics","1933","1","","515","548","10.1063/1.1749327","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011163","4.2816","","4.2816","","4.2816","","90","","90","","90","","78.5","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.91/1)","Wuestite","- Fe0.911 O -","- Fe0.911 O -","- Fe3.644 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011164","4.2847","","4.2847","","4.2847","","90","","90","","90","","78.7","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.92/1)","Wuestite","- Fe0.918 O -","- Fe0.918 O -","- Fe3.672 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011165","4.2909","","4.2909","","4.2909","","90","","90","","90","","79","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.93/1)","Wuestite","- Fe0.929 O -","- Fe0.929 O -","- Fe3.716 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011166","4.2909","","4.2909","","4.2909","","90","","90","","90","","79","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.93/1)","Wuestite","- Fe0.932 O -","- Fe0.932 O -","- Fe3.728 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011167","4.2997","","4.2997","","4.2997","","90","","90","","90","","79.5","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.94/1)","Wuestite","- Fe0.944 O -","- Fe0.944 O -","- Fe3.776 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011168","4.301","","4.301","","4.301","","90","","90","","90","","79.6","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.94/1)","Wuestite","- Fe0.944 O -","- Fe0.944 O -","- Fe3.776 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011169","4.332","","4.332","","4.332","","90","","90","","90","","81.3","","","","","","","","","","","","hypothetical stoichometric end-member","2","F m -3 m","-F 4 2 3","225","","Iron oxide","Wuestite","- Fe O -","- Fe O -","- Fe4 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""