# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-25T09:12:20+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 = 117 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
"1531491","8.202","","8.202","","9.0245","","90","","90","","90","","607.103","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Cs (D S)","","- Cs D S -","- Cs D S -","- Cs8 D8 S8 -","8","0.5","","Haarmann, F.; Jacobs, H.; White, M.A.; Kockelmann, W.; Marriott, R.A.; Mueller, P.; Kennedy, C.A.; Senker, J.; Qiu, L.","Dynamics of anions and cations in cesium hydrogensulfide (Cs H S, Cs D S): neutron and X-ray diffraction, calorimetry and proton NMR investigations","Journal of Chemical Physics","2002","117","","4961","4972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531495","5.8465","","5.8465","","4.5259","","90","","90","","90","","154.702","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Cs (D S)","","- Cs D S -","- Cs D S -","- Cs2 D2 S2 -","2","0.125","","Haarmann, F.; Jacobs, H.; Kennedy, C.A.; Kockelmann, W.; Senker, J.; Mueller, P.; Marriott, R.A.; Qiu, L.; White, M.A.","Dynamics of anions and cations in cesium hydrogensulfide (Cs H S, Cs D S): neutron and X-ray diffraction, calorimetry and proton NMR investigations","Journal of Chemical Physics","2002","117","","4961","4972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531498","4.3271","","4.3271","","4.3271","","90","","90","","90","","81.02","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cs (D S)","","- Cs D S -","- Cs D1.002 S -","- Cs D1.002 S -","1","0.0208333","","Haarmann, F.; Jacobs, H.; White, M.A.; Kockelmann, W.; Senker, J.; Mueller, P.; Marriott, R.A.; Kennedy, C.A.; Qiu, L.","Dynamics of anions and cations in cesium hydrogensulfide (Cs H S, Cs D S): neutron and X-ray diffraction, calorimetry and proton NMR investigations","Journal of Chemical Physics","2002","117","","4961","4972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""