# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T16:49:00+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 = 41 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
"1527603","5.65","","5.65","","5.65","","90","","90","","90","","180.362","","","","","","","","","","","","","1","P 21 3","P 2ac 2ab 3","198","","","","- N2 -","- N2 -","- N8 -","4","0.333333","","Jordan, T.H.; Smith, H.W.; Streib, W.E.; Lipscomb, W.N.","Single-crystal X-Ray diffraction studies of alpha-N2 and beta-N2","Journal of Chemical Physics","1964","41","","756","759","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528209","15.46","","7.2","","7.2","","90","","90","","90","","801.446","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(N H4)2 (Cu Cl4)","","- Cl4 Cu H8 N2 -","- Cl4 Cu N2 -","- Cl16 Cu4 N8 -","4","","","Willett, R.D.","Crystal structure of (N H4)2 Cu Cl4","Journal of Chemical Physics","1964","41","","2243","2244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528354","6.8","","13.29","","6.64","","90","","90.7","","90","","600.025","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K F (H2 O)4","","- F H8 K O4 -","- F H8 K O4 -","- F4 H32 K4 O16 -","4","1","","Beurskens, G.; Jeffrey, G.A.","Crystal structure of potassium fluoride tetrahydrate","Journal of Chemical Physics","1964","41","","917","923","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528861","6.57","","6.57","","18.62","","90","","90","","90","","803.73","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Li6 Be F4 Zr F8","","- Be F12 Li6 Zr -","- Be F12 Li6 Zr -","- Be4 F48 Li24 Zr4 -","4","0.125","","Sears, D.R.; Burns, J.H.","Crystal structure of Li6 Be F4 Zr F8","Journal of Chemical Physics","1964","41","","3478","3483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000222","5.4625","","5.4625","","5.4625","","90","","90","","90","","163","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Calcium fluoride","Fluorite","- Ca F2 -","- Ca F2 -","- Ca4 F8 -","4","0.0208333","","Batchelder, D N; Simmons, R O","","Journal of Chemical Physics","1964","41","","2324","2329","10.1063/1.1726266","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"9012465","6.67","","6.67","","6.67","","90","","90","","90","","296.741","","","","45.55","","","","","","","","","1","P m -3 n","-P 4n 2 3","223","","","Fluorine","- F -","- F -","- F8 -","8","0.166667","","Jordan, T. H.; Streib, W. E.; Lipscomb, W. N.","Single-crystal X-ray diffraction study of beta-fluorine Locality: synthetic Note: beta phase, stable between T = 45.55 K & 53.54 K","Journal of Chemical Physics","1964","41","","760","764","10.1063/1.1725957","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9017496","6.67","","6.67","","6.67","","90","","90","","90","","296.741","","","","50","","","","","","","","Synthetic","1","P m -3 n","-P 4n 2 3","223","","","Fluorine","- F -","- F -","- F8 -","8","0.166667","","Jordan, T. H.; Streib, W. E.; Lipscomb, W. N.","Single-crystal X-ray diffraction study of beta-fluorine Note: T = 50 K Note: beta phase, stable between T = 45.55 K & 53.54 K","Journal of Chemical Physics","1964","41","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""