# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-24T20:19:44+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 = 79 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
"1521307","24.643","","24.643","","24.643","","90","","90","","90","","14965.1","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cu.146 (Al O2).292 (Si O2).708 (H2 O).0276","","- Al0.2917 Cu0.13025 O2.02767 Si0.7083 -","- Al0.2917 Cu0.13025 O2.02767 Si0.7083 -","- Al56.0064 Cu25.008 O389.312 Si135.994 -","192","1","","Maxwell, I.E.; de Boer, J.J.","Crystal structures of hydrated and dehydrated divalent-copper-exchanged faujasite","Journal of Physical Chemistry","1975","79","","1874","1879","","","","","","","","","","","","","","","","","","","","","","has coordinates","141048","2020-10-21","18:00:00",""
"1535940","12.32","","12.32","","12.32","","90","","90","","90","","1869.96","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cs7 Na5 (Al12 Si12 O48)","","- Al12 Cs7 Na5 O48 Si12 -","- Al12 Cs7 Na4 O48 Si12 -","- Al12 Cs7 Na4 O48 Si12 -","1","0.0208333","","Vance, T.B.jr.; Seff, K.","Hydrated and dehydrated crystal structures of seventwelfths cesium-exchanged zeolite A","Journal of Physical Chemistry","1975","79","","2163","2167","","","","","","","","","","","","","","","","","","","","","","has coordinates","163449","2020-10-21","18:00:00",""
"1541576","24.48999","","24.48999","","24.48999","","90","","90","","90","","14688.1","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(N H4)41.3 La6.9 Al62 Si130 O384 (H2 O)6.8","","- Al62.08 La6.88 O390.8 Si130.56 -","- Al62.08 La6.88 O390.8 Si130.56 -","- Al62.08 La6.88 O390.8 Si130.56 -","1","0.00520833","","Scherzer, J.; Bass, J.L.; Hunter, F.D.","Structural characterization of hydrothermally treated lanthanum Y zeolites. I. Framework vibrational spectra and crystal structure","Journal of Physical Chemistry","1975","79","","1194","1199","","","","","","","","","","","","","","","","","","","","","","has coordinates","172936","2020-10-21","18:00:00",""
"1541577","24.75","","24.75","","24.75","","90","","90","","90","","15160.9","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","La20.7 Al62 Si130 O384 (H2 O)34.2","","- Al62 H68.4 La20.7 O418.2 Si130 -","- Al61.44 La21.12 O418.24 Si130.56 -","- Al61.44 La21.12 O418.24 Si130.56 -","1","0.00520833","","Scherzer, J.; Bass, J.L.; Hunter, F.D.","Structural characterization of hydrothermally treated lanthanum Y zeolites. I. Framework vibrational spectra and crystal structure","Journal of Physical Chemistry","1975","79","","1194","1199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541977","7.694","","5.827","","7.158","","90","","90","","90","","320.914","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)0.95 K0.05 N O3","","- H3.8 K0.05 N1.95 O3 -","- H3.8 K0.05 N1.95 O3 -","- H15.2 K0.2 N7.8 O12 -","4","0.5","","Holden, J.R.; Dickinson, C.W.","Crystal Structures of Three Solid Solution Phases of Ammonium Nitrate and Potassium Nitrate","Journal of Physical Chemistry","1975","79","","249","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","173869","2020-10-21","18:00:00",""
"1541979","7.669","","5.821","","7.12","","90","","90","","90","","317.846","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K.093 (N H4).907 N O3","","- H3.628 K0.093 N1.907 O3 -","- H3.628 K0.093 N1.907 O3 -","- H14.512 K0.372 N7.628 O12 -","4","0.5","","Holden, J.R.; Dickinson, C.W.","Crystal Structures of Three Solid Solution Phases of Ammonium Nitrate and Potassium Nitrate","Journal of Physical Chemistry","1975","79","","249","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","173871","2020-10-21","18:00:00",""
"1541981","7.66","","5.8","","7.112","","90","","90","","90","","315.972","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)0.88 K0.12 N O3","","- H3.52 K0.12 N1.88 O3 -","- H3.52 K0.12 N1.88 O3 -","- H14.08 K0.48 N7.52 O12 -","4","0.5","","Holden, J.R.; Dickinson, C.W.","Crystal Structures of Three Solid Solution Phases of Ammonium Nitrate and Potassium Nitrate","Journal of Physical Chemistry","1975","79","","249","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","173873","2020-10-21","18:00:00",""
"1541983","7.635","","5.739","","7.026","","90","","90","","90","","307.86","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K.366 (N H4).637 N O3","","- H2.548 K0.366 N1.637 O3 -","- H2.548 K0.366 N1.637 O3 -","- H10.192 K1.464 N6.548 O12 -","4","0.5","","Holden, J.R.; Dickinson, C.W.","Crystal Structures of Three Solid Solution Phases of Potassium Nitrate and Ammonium Nitrate","Journal of Physical Chemistry","1975","79","","249","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","173875","2020-10-21","18:00:00",""
"1542212","6.458","","5.444","","9.211","","90","","90","","90","","323.834","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K.952 (N H4).048 (N O3)","","- H0.192 K0.952 N1.048 O3 -","- K0.952 N1.048 O3 -","- K3.808 N4.192 O12 -","4","0.5","","Holden, J.R.; Dickinson, C.W.","Crystal structures of three solid solution phases of potassium nitrate and ammonium nitrate","Journal of Physical Chemistry","1975","79","","249","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","174268","2020-10-21","18:00:00",""