# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-02T13:36:35+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 = 84 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
"1530840","12.277","","12.277","","12.277","","90","","90","","90","","1850.45","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ca5.13 Cs1.74 (Al12 Si12 O48)","","- Al12 Ca5.13 Cs1.74 O48 Si12 -","- Al12 Ca5.04 Cs1.74 O48 Si12 -","- Al12 Ca5.04 Cs1.74 O48 Si12 -","1","0.0208333","","Subramanian, V.; Seff, K.","Five crystal structures of fully dehydrated calcium- and cesium-exchanged zeolite A, Ca(x) Cs(12-2x)-A, 2.8<x<5.2","Journal of Physical Chemistry","1980","84","","2928","2933","","","","","","","","","","","","","","","","","","","","","","has coordinates","156056","2020-10-21","18:00:00",""
"1530841","12.199","","12.199","","12.199","","90","","90","","90","","1815.4","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ca3.98 Cs4.04 (Al12 Si12 O48)","","- Al12 Ca3.98 Cs4.04 O48 Si12 -","- Al12 Ca3.9784 Cs4.032 O48 Si12 -","- Al12 Ca3.9784 Cs4.032 O48 Si12 -","1","0.0208333","","Subramanian, V.; Seff, K.","Five crystal structures of fully dehydrated calcium- and cesium-exchanged zeolite A, Ca(x) Cs(12-2x)-A, 2.8<x<5.2","Journal of Physical Chemistry","1980","84","","2928","2933","","","","","","","","","","","","","","","","","","","","","","has coordinates","156057","2020-10-21","18:00:00",""
"1530842","12.226","","12.226","","12.226","","90","","90","","90","","1827.48","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ca3.37 Cs5.26 (Al12 Si12 O48)","","- Al12 Ca3.37 Cs5.26 O48 Si12 -","- Al12 Ca3.328 Cs5.264 O48 Si12 -","- Al12 Ca3.328 Cs5.264 O48 Si12 -","1","0.0208333","","Subramanian, V.; Seff, K.","Five crystal structures of fully dehydrated calcium- and cesium-exchanged zeolite A, Ca(x) Cs(12-2x)-A, 2.8<x<5.2","Journal of Physical Chemistry","1980","84","","2928","2933","","","","","","","","","","","","","","","","","","","","","","has coordinates","156058","2020-10-21","18:00:00",""
"1530843","12.225","","12.225","","12.225","","90","","90","","90","","1827.03","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ca3 Cs6 (Al12 Si12 O48)","","- Al12 Ca3 Cs6 O48 Si12 -","- Al12 Ca3 Cs6 O48 Si12 -","- Al12 Ca3 Cs6 O48 Si12 -","1","0.0208333","","Subramanian, V.; Seff, K.","Five crystal structures of fully dehydrated calcium- and cesium-exchanged zeolite A, Ca(x) Cs(12-2x)-A, 2.8<x<5.2","Journal of Physical Chemistry","1980","84","","2928","2933","","","","","","","","","","","","","","","","","","","","","","has coordinates","156059","2020-10-21","18:00:00",""
"1530844","12.242","","12.242","","12.242","","90","","90","","90","","1834.67","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ca2.8 Cs6.4 (Al12 Si12 O48)","","- Al12 Ca2.8 Cs6.4 O48 Si12 -","- Al12 Ca2.8 Cs6.4 O48 Si12 -","- Al12 Ca2.8 Cs6.4 O48 Si12 -","1","0.0208333","","Subramanian, V.; Seff, K.","Five crystal structures of fully dehydrated calcium- and cesium-exchanged zeolite A, Ca(x) Cs(12-2x)-A, 2.8<x<5.2","Journal of Physical Chemistry","1980","84","","2928","2933","","","","","","","","","","","","","","","","","","","","","","has coordinates","156060","2020-10-21","18:00:00",""
"1541696","12.196","","12.196","","12.196","","90","","90","","90","","1814.06","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Zn5 Na2 (Si12 Al12 O48) (H2 O)24","","- Al12 H48 Na2 O72 Si12 Zn5 -","- Al12 Na2.0004 O72.002 Si12 Zn5.0002 -","- Al12 Na2.0004 O72.002 Si12 Zn5.0002 -","1","0.0208333","","Kim, Y.; Seff, K.","Crystal structure of hydrated partially zinc(II)- exchanged zeolite A, Zn5 Na2-A","Journal of Physical Chemistry","1980","84","","2823","2827","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541789","12.258","","12.258","","12.258","","90","","90","","90","","1841.87","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cd5.86 Si12 Al12 O48 (H2 O)1.70","","- Al12 Cd5.86 H3.4 O49.7 Si12 -","- Al12 Cd5.86 O49.6992 Si12 -","- Al12 Cd5.86 O49.6992 Si12 -","1","0.0208333","","McCusker, L.B.; Seff, K.","Migration of framework oxide ions. Crystal structures of fully cadmium(II)-exchanged zeolite A evacuated at 600 and 700 C","Journal of Physical Chemistry","1980","84","","2827","2831","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541790","12.237","","12.237","","12.237","","90","","90","","90","","1832.42","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cd5.8 Si12 Al12 O48 (H2 O)2.3","","- Al12 Cd5.8 H4.6 O50.3 Si12 -","- Al12 Cd5.8 O50.2992 Si12 -","- Al12 Cd5.8 O50.2992 Si12 -","1","0.0208333","","McCusker, L.B.; Seff, K.","Migration of framework oxide ions. Crystal structures of fully cadmium(II)-exchanged zeolite A evacuated at 600 and 700 C","Journal of Physical Chemistry","1980","84","","2827","2831","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""