# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T14:21:18+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 Physical Chemistry') AND volume = 97 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
"1509933","12.255","","12.255","","12.255","","90","","90","","90","","1840.52","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag5.6 K6.4 (Al12 Si12 O48)","","- Ag5.6 Al12 K6.4 O48 Si12 -","- Ag5.6002 Al12 K6.4 O48 Si12 -","- Ag5.6002 Al12 K6.4 O48 Si12 -","1","0.0208333","","Seff, K.; Kim, Y.; Jeong, M.S.","Crystal structures of dehydrated zeolite Ag5.6 K6.4-A and of the product of its reaction with cesium: Cs13.5 Ag4.5-A, containing silver and cationic cesium clusters","Journal of Physical Chemistry","1993","97","","10139","10143","10.1021/j100141a040","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"9014074","4.0043","","4.0043","","4.0043","","89.855","","89.855","","89.855","","64.206","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.166667","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 180 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014179","4.0057","","4.0057","","4.0057","","89.846","","89.846","","89.846","","64.273","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.166667","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 150 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014230","4.0036","","4.0036","","4.0036","","89.84","","89.84","","89.84","","64.172","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.166667","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 20 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014492","3.9828","","5.6745","","5.6946","","90","","90","","90","","128.7","","","","","","","","","","","","Synthetic","3","A m m 2","A 2 -2","38","","","Barioperovskite","- Ba O3 Ti -","- Ba O3 Ti -","- Ba2 O6 Ti2 -","2","0.25","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 190 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014627","3.9806","","5.671","","5.6904","","90","","90","","90","","128.455","","","","","","","","","","","","Synthetic","3","A m m 2","A 2 -2","38","","","Barioperovskite","- Ba O3 Ti -","- Ba O3 Ti -","- Ba2 O6 Ti2 -","2","0.25","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 210 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014645","3.9855","","5.6738","","5.6903","","90","","90","","90","","128.674","","","","","","","","","","","","Synthetic","3","A m m 2","A 2 -2","38","","","Barioperovskite","- Ba O3 Ti -","- Ba O3 Ti -","- Ba2 O6 Ti2 -","2","0.25","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 250 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014743","4.0036","","4.0036","","4.0036","","89.839","","89.839","","89.839","","64.172","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.166667","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 15 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014756","4.0041","","4.0041","","4.0041","","89.852","","89.852","","89.852","","64.196","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.166667","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 170 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015236","4.00385","","4.00385","","4.00385","","89.843","","89.843","","89.843","","64.184","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.166667","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 130 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015616","4.0035","","4.0035","","4.0035","","89.843","","89.843","","89.843","","64.167","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.166667","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 40 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9016084","3.9841","","5.6741","","5.6916","","90","","90","","90","","128.665","","","","","","","","","","","","Synthetic","3","A m m 2","A 2 -2","38","","","Barioperovskite","- Ba O3 Ti -","- Ba O3 Ti -","- Ba2 O6 Ti2 -","2","0.25","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 230 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016152","4.0042","","4.0042","","4.0042","","89.837","","89.837","","89.837","","64.201","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.166667","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 70 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016624","4.0042","","4.0042","","4.0042","","89.836","","89.836","","89.836","","64.201","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.166667","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 100 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9016638","3.9874","","5.6751","","5.6901","","90","","90","","90","","128.761","","","","","","","","","","","","Synthetic","3","A m m 2","A 2 -2","38","","","Barioperovskite","- Ba O3 Ti -","- Ba O3 Ti -","- Ba2 O6 Ti2 -","2","0.25","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 270 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""