# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-15T03:41:20+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 = 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
"1523409","9.131","","5.417","","23.5","","90","","126.85","","90","","930.14","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zr ((N H4) (P O4))2 H2 O","","- H10 N2 O9 P2 Zr -","- N2 O9 P2 Zr -","- N8 O36 P8 Zr4 -","4","1","","Clearfield, A.; Troup, J.M.","On the mechanism of ion exchange in crystalline zirconium phosphates. VII. The crystal structure of alpha-zirconium bis(ammonium orthophosphate) monohydrate","Journal of Physical Chemistry","1973","77","","243","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525479","12.263","","12.263","","12.263","","90","","90","","90","","1844.12","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Na12 Al12 Si12 O48","","- Al12 Na12 O48 Si12 -","- Al12 Na11.996 O48 Si12 -","- Al12 Na11.996 O48 Si12 -","1","0.0208333","","Yanagida, R.Y.; Seff, K.; Amaro, A.A.","A redetermination of the crystal structure of dehydrated zeolite 4A","Journal of Physical Chemistry","1973","77","","805","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","146467","2020-10-21","18:00:00",""
"1528305","12.26","","12.26","","12.26","","90","","90","","90","","1842.77","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(Na12 (Al12 Si12 O48)) (C2 H2)6","","- C12 H12 Al12 Na12 O48 Si12 -","- C12 H12.048 Al12 Na12.0404 O48 Si12 -","- C12 H12.048 Al12 Na12.0404 O48 Si12 -","1","0.0208333","","Amaro, A.A.; Seff, K.","Crystal structure of an acetylene sorption complex of zeolite 4A","Journal of Physical Chemistry","1973","77","","906","910","","","","","","","","","","","","","","","","","","","","","","has coordinates","150334","2020-10-21","18:00:00",""
"1535545","24.754","","24.754","","24.754","","90","","90","","90","","15168.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","((C3 H7) N H3)18.8 K35.9 Al54.7 Si137.3 O384 (H2 O)101","","- Al54.7008 K36.928 O405.808 Si137.299 -","- Al54.7008 K36.928 O405.808 Si137.299 -","- Al54.7008 K36.928 O405.808 Si137.299 -","1","0.00520833","","Mortier, W.J.; Uytterhoeven, J.B.; Costenoble, M.L.","Location of cations in synthetic zeolites X and Y. III. Potasium-alkylammonium Y zeolites","Journal of Physical Chemistry","1973","77","","2880","2885","","","","","","","","","","","","","","","","","","","","","","has coordinates","162952","2020-10-21","18:00:00",""
"1535548","24.742","","24.742","","24.742","","90","","90","","90","","15146.2","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","((C H3) N H3)27.5 K27.3 Al54.7 Si137.3 O384 (H2 O)124","","- Al54.7008 K21.952 O400 Si137.299 -","- Al54.7008 K21.952 O496 Si137.299 -","- Al54.7008 K21.952 O496 Si137.299 -","1","0.00520833","","Mortier, W.J.; Costenoble, M.L.; Uytterhoeven, J.B.","Location of cations in synthetic zeolites X and Y. III. Potasium-alkylammonium Y zeolites","Journal of Physical Chemistry","1973","77","","2880","2885","","","","","","","","","","","","","","","","","","","","","","has coordinates","162955","2020-10-21","18:00:00",""