# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T15:59:27+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 = 68 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
"1529516","10.2386","","10.2951","","10.1981","","90","","90","","90","","1074.95","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K2 Cd2 (S O4)3","","- Cd2 K2 O12 S3 -","- Cd2 K2 O12 S3 -","- Cd8 K8 O48 S12 -","4","1","","Abrahams, S.C.; Lissalde, F.; Bernstein, J.L.","Piezoelectric langbeinite-type K2 Cd2 (S O4)3 structure at four temperatures below and one above the 432 K ferroelastic- paraelastic transition","Journal of Chemical Physics","1978","68","","1926","1935","","","","","","","","","","","","","","","","","","","","","","has coordinates","153948","2020-10-21","18:00:00",""
"9012483","2.813","","2.813","","4.452","","90","","90","","90","","35.229","","","","298","","","","2800000","","","","Synthetic","1","I 4/m m m","-I 4 2","139","Gallium","","Gallium","- Ga -","- Ga -","- Ga2 -","2","0.0625","","Bosio, L.","Crystal structures of Ga(II) and Ga(III) Sample: at P = 2.8 GPa, T = 298 K Note: structure known as Ga(III) phase","Journal of Chemical Physics","1978","68","","1221","1223","10.1063/1.435841","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012484","5.951","","5.951","","5.951","","90","","90","","90","","210.751","","","","313","","","","2600000","","","","","1","I -4 3 d","I -4bd 2c 3","220","Gallium","","Gallium","- Ga -","- Ga -","- Ga12 -","12","0.25","","Bosio, L.","Crystal structures of Ga(II) and Ga(III) Loclailty: synthetic Sample: at P = 2.6 GPa, T = 313 K Note: structure known as Ga(II) phase","Journal of Chemical Physics","1978","68","","1221","1223","10.1063/1.435841","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""