# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-12T03:13:11+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 Molecular Structure') AND volume = 516 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
"1520826","8.464","","7.817","","10.337","","90","","90.58","","90","","683.893","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Na H2 P O4) (H3 P O4)","","- H5 Na O8 P2 -","- H5 Na O8 P2 -","- H20 Na4 O32 P8 -","4","1","","Baran, J.; Lis, T.; Drozd, M.; Ratajczak, H.","Structure, phase transition and vibrational spectra of the Na H5 (P O4)2 and Na D5 (P O4)2 crystals","Journal of Molecular Structure","2000","516","","185","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520827","8.495","","7.854","","10.352","","90","","90.67","","90","","690.635","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Na D2 P O4) (D3 P O4)","","- D5 Na O8 P2 -","- D5 Na O8 P2 -","- D20 Na4 O32 P8 -","4","1","","Baran, J.; Lis, T.; Drozd, M.; Ratajczak, H.","Structure, phase transition and vibrational spectra of the Na H5 (P O4)2 and Na D5 (P O4)2 crystals","Journal of Molecular Structure","2000","516","","185","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:07",""