# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T15:35:27+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 = 45 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
"1528856","5.784","","5.784","","4.796","","90","","90","","120","","138.953","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","(N H4)2 (Si F6)","","- F6 H8 N2 Si -","- F6 H8 N2 Si -","- F6 H8 N2 Si -","1","0.0833333","","Schlemper, E.O.; Hamilton, W.C.","On the structure of trigonal ammonium fluorosilicate","Journal of Chemical Physics","1966","45","","408","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1541935","9.596","","13.33","","9.512","","90","","90","","90","","1216.72","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","Sc2 (W O4)3","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Abrahams, S.C.; Bernstein, J.L.","Crystal Structure of the Transition-Metal Molybdates and Tungstates. II. Diamagnetic Sc2 (W O4)3","Journal of Chemical Physics","1966","45","","2745","2752","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1542173","5.21","","5.21","","5.21","","90","","90","","90","","141.421","","","","","","","","","","","","","1","I 2 3","I 2 2 3","197","","","","- H -","- H -","- H2 -","2","0.0833333","","Barrett, C.S.; Meyer, L.; Wassermann, J.","Crystal structure of solid hydroegn and deuterium, and of neon-hydrogen and neon-deuterium mixtures","Journal of Chemical Physics","1966","45","","834","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:46",""
"1542174","5.21","","5.21","","5.21","","90","","90","","90","","141.421","","","","","","","","","","","","","1","I 2 3","I 2 2 3","197","","","","- D -","- D -","- D4 -","4","0.166667","","Barrett, C.S.; Meyer, L.; Wassermann, J.","Crystal structure of solid hydrogen and deuterium, and of neon-hydrogen and neon-deuterium mixtures","Journal of Chemical Physics","1966","45","","834","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:46",""
"9012469","5.784","","5.784","","4.796","","90","","90","","120","","138.953","","","","","","","","","","","","Synthetic","3","P -3 m 1","-P 3 2""","164","","","Bararite","- F6 N2 Si -","- F6 N2 Si -","- F6 N2 Si -","1","0.0833333","","Schlemper, E. O.; Hamilton, W. C.","On the structure of trigonal ammonium fluorosilicate","Journal of Chemical Physics","1966","45","","408","409","10.1063/1.2716548","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""