# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T11:46:41+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 = 50 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
"1537965","4.6707","","4.6707","","4.6707","","90","","90","","90","","101.893","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In3 Pr -","- In3 Pr -","- In3 Pr -","1","0.0208333","","Buschow, K.H.J.; van Diepen, A.M.; de Wijn, H.W.","Magnetic susceptibilities of rare-earth-Indium compounds: R In3","Journal of Chemical Physics","1969","50","","137","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537967","4.611","","4.611","","4.611","","90","","90","","90","","98.036","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In3 Yb -","- In3 Yb -","- In3 Yb -","1","0.0208333","","Buschow, K.H.J.; de Wijn, H.W.; van Diepen, A.M.","Magnetic susceptibilities of rare-earth-Indium compounds: R In3","Journal of Chemical Physics","1969","50","","137","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9009884","2.851","","2.851","","13.15","","90","","90","","120","","92.566","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","Heterogenite","- Co H O2 -","- Co H O2 -","- Co3 H3 O6 -","3","0.0833333","","Delaplane, R. G.; Ibers, J. A.; Ferraro, J. R.; Rush, J. J.","Diffraction and spectroscopic studies of the cobaltic acid system HCoO2 - DCoO2 Note: X-ray study Note: polytype known as Heterogenite-3R","Journal of Chemical Physics","1969","50","","1920","1927","10.1063/1.1671307","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009885","2.854","","2.854","","13.354","","90","","90","","120","","94.2","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","Heterogenite (deuterated)","- Co D O2 -","- Co D O2 -","- Co3 D3 O6 -","3","0.0833333","","Delaplane, R. G.; Ibers, J. A.; Ferraro, J. R.; Rush, J. J.","Diffraction and spectroscopic studies of the cobaltic acid system HCoO2 - DCoO2 Note: Neutron study Note: polytype known as Heterogenite-3R","Journal of Chemical Physics","1969","50","","1920","1927","10.1063/1.1671307","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9012472","10.23","","7.05","","6.57","","90","","122.17","","90","","401.091","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Nickelbischofite","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Kleinberg, R.","Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = room temp, X-ray data","Journal of Chemical Physics","1969","50","","4690","4696","10.1063/1.1670957","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012473","10.24","","7.04","","6.58","","90","","122.23","","90","","401.259","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Nickelbischofite","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Kleinberg, R.","Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = room temp, neutron data","Journal of Chemical Physics","1969","50","","4690","4696","10.1063/1.1670957","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012474","10.2","","7.05","","6.5","","90","","122.53","","90","","394.082","","","","4.2","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Nickelbischofite","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Kleinberg, R.","Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = 4.2 K, neutron data","Journal of Chemical Physics","1969","50","","4690","4696","10.1063/1.1670957","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""