# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T12:24:48+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 = 79 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
"1537153","12.3175","","12.3175","","12.3175","","90","","90","","90","","1868.82","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zr3 V3 O D1.86","","- D1.86 O V3 Zr3 -","- D1.8748 O0.978 V3 Zr3 -","- D29.9968 O15.648 V48 Zr48 -","16","0.0833333","","Rotella, F.J.; Jorgensen, J.D.; Flotow, H.E.; Gruen, D.M.","Deuterium site occupation in the oxygen-stabilized eta-carbides Zr3 V3 O Dx: Preparation and neutron powder diffraction","Journal of Chemical Physics","1983","79","","4522","4531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537157","12.3807","","12.3807","","12.3807","","90","","90","","90","","1897.73","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zr3 V3 O D2.85","","- D2.85 O V3 Zr3 -","- D2.764 O V3 Zr3 -","- D44.224 O16 V48 Zr48 -","16","0.0833333","","Rotella, F.J.; Flotow, H.E.; Gruen, D.M.; Jorgensen, J.D.","Deuterium site oxxupation in the oxygen-stabilized eta-carbides Zr3 V3 O Dx: Preparation and neutron powder diffraction","Journal of Chemical Physics","1983","79","","4522","4531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537161","12.526","","12.526","","12.526","","90","","90","","90","","1965.34","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zr3 V3 O D4.93","","- D4.93 O V3 Zr3 -","- D4.958 O0.98 V3 Zr3 -","- D79.328 O15.68 V48 Zr48 -","16","0.0833333","","Rotella, F.J.; Flotow, H.E.; Gruen, D.M.; Jorgensen, J.D.","Deuterium site occupation in the oxygen-stabilized eta-carbides Zr3 V3 O Dx: Preparation and neutron powder diffraction","Journal of Chemical Physics","1983","79","","4522","4531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537165","12.1703","","12.1703","","12.1703","","90","","90","","90","","1802.62","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Zr3 V3 O","","- O V3 Zr3 -","- O V3 Zr3 -","- O16 V48 Zr48 -","16","0.0833333","","Rotella, F.J.; Gruen, D.M.; Flotow, H.E.; Jorgensen, J.D.","Deuterium site occupation in the oxvgen-stabilized eta-carbides Zr3 V3 O Dx: Preparation and neutron powder diffraction","Journal of Chemical Physics","1983","79","","4522","4531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537208","9.537","","9.651","","6.509","","90","","90","","90","","599.099","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Ba2 (Al4 Si6 O20) (H2 O)7","","- Al4 Ba2 H14 O27 Si6 -","- Al4 Ba2 H14.024 O27.012 Si6 -","- Al4 Ba2 H14.024 O27.012 Si6 -","1","0.25","","Kvick, A.; Smith, J.V.","A neutron diffraction study of the zeolite edingtonite","Journal of Chemical Physics","1983","79","","2356","2362","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""