# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-25T09:13:48+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 Chemical Physics') AND volume = 77 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
"1529595","5.591","","5.591","","22.715","","90","","90","","120","","614.925","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Li2 O) (Al2 O3)11 (H2 O)1.54","","- Al22 H3.08 Li2 O35.54 -","- Al22 H3.096 Li2 O35.528 -","- Al22 H3.096 Li2 O35.528 -","1","0.0416667","","Bates, J.B.; Wang, J.-C.; Dudney, N.J.; Brown, G.M.; Frech, R.E.","Structure and spectra of H2 O in hydrated beta-alumina","Journal of Chemical Physics","1982","77","","4838","4856","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534588","9.422","","5.861","","5.301","","90","","90","","90","","292.734","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Li (I O3)","","- I Li O3 -","- I Li O3 -","- I4 Li4 O12 -","4","1","","Liminga, R.; Svensson, C.; Albertsson, J.; Abrahams, S.C.","gamma-lithium iodate at 515 K and the alpha-Li I O3 to gamma-Li I O3, gamma-Li I O3 to beta-Li I O3 phase transitions","Journal of Chemical Physics","1982","77","","4222","4226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535167","10.365","","4.85","","5.792","","90","","91.16","","90","","291.106","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Na (D2.808 H0.192) (Se O3)2","","- D2.808 H0.192 Na O6 Se2 -","- D2.808 H0.192 Na O6 Se2 -","- D5.616 H0.384 Na2 O12 Se4 -","2","0.5","","McMullan, R.K.; Thomas, R.; Nagle, J.F.","Structures of the paraelectric and ferroelectric phases of Na D3 (Se O3)2 by neutron diffraction: A vertex model for the ordered ferroelectric state","Journal of Chemical Physics","1982","77","","537","547","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535170","10.314","","9.663","","5.768","","90","","91.23","","90","","574.731","","","","","","","","","","","","","5","P 1 n 1","P -2yac","7","","Na (D2.824 H.176) (Se O3)2","","- D2.824 H0.176 Na O6 Se2 -","- D2.824 H0.176 Na O6 Se2 -","- D11.296 H0.704 Na4 O24 Se8 -","4","2","","McMullan, R.K.; Nagle, J.F.; Thomas, R.","Structures of the paraelectric and ferroelectric phases of Na D3 (Se O3)2 by neutron diffraction: A vertex model for the ordered ferroelectric state","Journal of Chemical Physics","1982","77","","537","547","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""