# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-01T02:24:29+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 Physical Chemistry') AND volume = 76 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
"1531894","24.896","","24.896","","24.896","","90","","90","","90","","15430.8","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","K54.7 Al54.7 Si137.3 O384","","- Al54.7 K54.7 O384 Si137.3 -","- Al54.72 K54.712 O384 Si137.28 -","- Al54.72 K54.712 O384 Si137.28 -","1","0.00520833","","Mortier, W.J.; Bosmans, H.J.; Uytterhoeven, J.B.","Location of univalent cations in synthetic zeolites of the Y and X type with varying silicon to aluminium ratio. II. Dehydrated potassium exchanged forms","Journal of Physical Chemistry","1972","76","","650","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","157478","2020-10-21","18:00:00",""
"1532075","12.17","","12.17","","12.17","","90","","90","","90","","1802.48","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Tl11 Al11 Si13 O48","","- Al11 O48 Si13 Tl11 -","- Al10.9992 O48 Si13.0008 Tl11 -","- Al10.9992 O48 Si13.0008 Tl11 -","1","0.0208333","","Riley, P.E.; Seff, K.","The Crystal Structure of Hydrated and Dehydrated Thallium-Exchanged Zeolite A","Journal of Physical Chemistry","1972","76","","2593","2597","","","","","","","","","","","","","","","","","","","","","","has coordinates","157695","2020-10-21","18:00:00",""
"1532219","12.289","","12.289","","12.289","","90","","90","","90","","1855.88","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Na11 Al11 Si13 O48 S16","","- Al11 Na11 O48 S16 Si13 -","- Al10.9992 Na11 O48 S15.9984 Si13.0008 -","- Al10.9992 Na11 O48 S15.9984 Si13.0008 -","1","0.0208333","","Seff, K.","The Crystal Structure of a Sulfur Sorption Complex of Zeolite 4A","Journal of Physical Chemistry","1972","76","","2601","2605","","","","","","","","","","","","","","","","","","","","","","has coordinates","157885","2020-10-21","18:00:00",""
"1532390","12.29","","12.29","","12.29","","90","","90","","90","","1856.33","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Na11 Al11 Si13 O48 (N H3)32","","- Al11 H96 N32 Na11 O48 Si13 -","- Al10.9992 N32.02 Na11 O48 Si13.0008 -","- Al10.9992 N32.02 Na11 O48 Si13.0008 -","1","0.0208333","","Yanagida, R.Y.; Seff, K.","The Crystal Structure of an Ammonia Sorption Complex of Zeolite 4A","Journal of Physical Chemistry","1972","76","","2597","2601","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""