# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T05:17:39+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 = 26 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
"1000045","3.5862","0.0006","3.5862","0.0006","4.8801","0.0017","90","","90","","120","","54.4","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Busing, W R; Levy, H A","Neutron diffraction study of calcium hydroxide","Journal of Chemical Physics","1957","26","","563","568","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008760","7.395","","8.056","","3.728","","90","","90","","90","","222.1","","","","","","","","","","","","","4","P b m n","-P 2ab 2ab","53","","Copper chloride dihydrate","Eriochalcite","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Peterson, S W; Levy, H A","Proton positions in Cu Cl2 (H2 O)2 by neutron diffraction","Journal of Chemical Physics","1957","26","","220","221","10.1063/1.1743258","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008781","3.5918","0.0003","3.5918","0.0003","4.9063","0.0007","90","","90","","120","","54.8","","","","","","","","","","","","synthetic by slow precipitation","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Busing, W R; Levy, H A","Neutron diffraction study of calcium hydroxide","Journal of Chemical Physics","1957","26","","563","568","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1541579","6.37","","6.37","","6.37","","90","","90","","90","","258.475","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- H2 O -","- H2 O -","- H16 O8 -","8","0.0416667","","Shallcross, F.V.; Carpenter, G.B.","X-ray diffraction study of the cubic phase of ice","Journal of Chemical Physics","1957","26","","782","784","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""