# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-10T05:22:23+02:00
# 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 Physical Chemistry') AND volume = 63 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
"1527721","9.065","","5.569","","7.339","","90","","90","","90","","370.495","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(H3 O) (Cl O4)","","- Cl H3 O5 -","- Cl O5 -","- Cl4 O20 -","4","0.5","","Lee, F.S.; Carpenter, G.B.","The crystal structure of perchloric acid monohydrate","Journal of Physical Chemistry","1959","63","","279","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527785","15.21","","7.69","","9.77","","90","","97.4","","90","","1133.23","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H3)3 Cr O4","","- Cr H9 N3 O4 -","- Cr H9 N3 O4 -","- Cr8 H72 N24 O32 -","8","2","","McLaren, E.H.; Helmholz, L.","The crystal and molecular structure of triamminochromium tetroxide","Journal of Physical Chemistry","1959","63","","1279","1283","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1538992","4.111","","4.111","","13.56","","90","","90","","90","","229.168","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- Nd Si2 -","- Nd Si2 -","- Nd4 Si8 -","4","0.125","","Perri, J.A.; Banks, E.; Post, B.","Polymorphism of rare earth disilicides","Journal of Physical Chemistry","1959","63","","2073","2074","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""