# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-25T09:50:34+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 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
"1001799","5.026","0.001","5.078","0.001","5.867","0.001","90","","90","","91.47","0.01","149.7","","","","","","","","","","","","","3","P 1 1 2/b","-P 2b","13","","Cadmium tungstate","","- Cd O4 W -","- Cd O4 W -","- Cd2 O8 W2 -","2","0.5","","Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P","Vibrational and XRD study of the system Cd W O4 - Cd Mo O4","Journal of Physical Chemistry","1997","101","","4358","4369","10.1021/jp963008x","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001800","5.156","0.001","5.156","0.001","11.196","0.001","90","","90","","90","","297.6","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Cadmium molybdate","","- Cd Mo O4 -","- Cd Mo O4 -","- Cd4 Mo4 O16 -","4","0.25","","Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P","Vibrational and XRD study of the system Cd W O4 - Cd Mo O4","Journal of Physical Chemistry","1997","101","","4358","4369","10.1021/jp963008x","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001801","5.031","0.001","5.074","0.001","5.858","0.001","90","","90","","91.48","0.02","149.5","","","","","","","","","","","","","4","P 1 1 2/b","-P 2b","13","","Cadmium molybdenum tungsten oxide (1/0.25/0.75/4)","","- Cd Mo0.25 O4 W0.75 -","- Cd Mo0.25 O4 W0.75 -","- Cd2 Mo0.5 O8 W1.5 -","2","0.5","","Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P","Vibrational and XRD study of the system Cd W O4 - Cd Mo O4","Journal of Physical Chemistry","1997","101","","4358","4369","10.1021/jp963008x","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001802","5.158","0.001","5.158","0.001","11.187","0.001","90","","90","","90","","297.6","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Cadmium molybdenum tungsten oxide (1/0.75/0.25/4)","","- Cd Mo0.75 O4 W0.25 -","- Cd Mo0.75 O4 W0.25 -","- Cd4 Mo3 O16 W -","4","0.25","","Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P","Vibrational and XRD study of the system Cd W O4 - Cd Mo O4","Journal of Physical Chemistry","1997","101","","4358","4369","10.1021/jp963008x","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008065","6.64","","7.33","","6.4","","90","","92.67","","90","","311.2","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Xenon difluoride xenon tetrafluoride","","- F6 Xe2 -","- F6 Xe2 -","- F12 Xe4 -","2","0.5","","Burns, J H; Ellison, R D; Levy, H A","The crystal structure of the molecular addition compound xenon difluoride-xenon tetrafluoride","Journal of Physical Chemistry","1963","67","","1569","1570","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008779","6.78","","6.78","","6.12","","90","","90","","90","","281.3","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Scandium vanadate","","- O4 Sc V -","- O4 Sc V -","- O16 Sc4 V4 -","4","0.125","","Milligan, W O; Vernon, L W; Levy, H A; Peterson, S W","Neutron diffraction studies on scandium orthovanadate and scandium oxide","Journal of Physical Chemistry","1953","57","","535","537","10.1021/j150506a012","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008928","9.79","","9.79","","9.79","","90","","90","","90","","938.3","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Scandium oxide","","- O3 Sc2 -","- O3 Sc2 -","- O48 Sc32 -","16","0.333333","","Milligan, W O; Vernon, L W; Levy, H A; Peterson, S W","Neutron diffraction studies on scandium orthovanadate and scandium oxide","Journal of Physical Chemistry","1953","57","","535","537","10.1021/j150506a012","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010846","14.74","","14.95","","6.47","","91.4","","90.38","","86.89","","1423.2","","","","","","","","","","","","","6","","","","","Calcium sulfate tetraurea","","- C4 H16 Ca N8 O8 S -","","","4","","","Hendricks, S B","The Crystal Structure of Ca S O~4~ C O (N H~2~)~2~","Journal of Physical Chemistry","1933","37","","1109","1122","10.1021/j150351a004","","","","","","","","","","","","","","","","","","","","","","278157","2022-09-26","15:27:22",""
"1010857","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tungsten carbide (2/1)","","- C W2 -","","","","","","Andrews, M R; Dushman, S","Diffusion of Carbon Thru Tungsten and Tungsten Carbide","Journal of Physical Chemistry","1925","29","","462","472","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010859","5.79","","5.79","","5.79","","90","","90","","90","","194.1","","","","","","","","","","","","","3","","","","","Mercury zinc sulfide (0.61/0.39/1)","","- Hg0.61 S Zn0.39 -","","","","","","Moltzau, R; Kolthoff, I M","Mixed crystal formation of zinc sulfide postprecipitated with mercuric sulfide. The aging of mercuric sulfide and of zinc sulfide","Journal of Physical Chemistry","1936","40","","637","643","10.1021/j150374a009","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1011028","4","0.003","4.211","0.002","3.875","0.002","90","","90","","90","","65.3","","","","","","","","","","","","synthetic at 1473 K for 2 h","3","P m m m","-P 2 2","47","","Lead titanate","Macedonite","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.125","","Cole, S S; Espenschied, H","Lead titanate: crystal structure, temperature of formation, and specific gravity data","Journal of Physical Chemistry","1937","41","","445","451","10.1021/j150381a009","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1200011","7.456","0.006","10.08","0.01","5.776","0.005","90","","90","","90","","434.1","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Potassium sulfate - $-beta","","- K2 O4 S -","- K2 O4 S -","- K8 O16 S4 -","4","0.5","","Robinson, Mark T.","The crystal structures of β-K~2~SO~4~ and of β-K~2~PO~3~F","Journal of Physical Chemistry","1958","62","8","925","928","10.1021/j150566a007","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","301774","2025-08-18","12:44:28",""
"1509623","12.238","","12.238","","12.238","","90","","90","","90","","1832.87","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ag12 (Si12 Al12 O48)","","- Ag11.06 Al12 O48 Si12 -","- Ag11.06 Al12 O48 Si12 -","- Ag11.06 Al12 O48 Si12 -","1","0.0208333","","Uytterhoeven, J.B.; Gellens, L.R.; Mortier, W.J.; Schoonheydt, R.A.","The nature of charged silver clusters in dehydrated zeolites of type A","Journal of Physical Chemistry","1981","85","","2783","2788","10.1021/j150619a018","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509624","12.3045","","12.3045","","12.3045","","90","","90","","90","","1862.91","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ag11.54 Si12 Al12 O48","","- Ag11.54 Al12 O48 Si12 -","- Ag11.54 Al12 O48 Si12 -","- Ag11.54 Al12 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","The crystal structure of dehydrated fully silver(1+) ionexchanged zeolite A reduced by hydrogen and reoxidized by oxygen, both at 330 degree C. The loss of long range order and its subsequent return","Journal of Physical Chemistry","1978","82","","921","924","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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",""
"1509950","12.245","","12.245","","12.245","","90","","90","","90","","1836.02","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag6.5 Tl5.5 Si12 Al12 O48","","- Ag6.5 Al12 O48 Si12 Tl5.5 -","- Ag6.5002 Al12 O48 Si12 Tl5.5 -","- Ag6.5002 Al12 O48 Si12 Tl5.5 -","1","0.0208333","","Kim, Y.; Seff, K.","The crystal structure of zeolite A exchanged with Ag+ and Tl+, Ag6.5 Tl5.5 A, evacuated at 400 degree C. A partial mechanism for the intrazeolitic reduction of Ag+ to form hexasilver","Journal of Physical Chemistry","1978","82","","1307","1311","10.1021/j100500a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509972","12.311","","12.311","","12.311","","90","","90","","90","","1865.86","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag7.6 Na4.4 (Al12 Si12 O48)","","- Ag7.6 Al12 Na4.4 O48 Si12 -","- Ag7.5996 Al12 Na4.4 O48 Si12 -","- Ag7.5996 Al12 Na4.4 O48 Si12 -","1","0.0208333","","Seff, K.; Kim, Y.","Crystal structure of fully dehydrated, partially Ag+ exchanged zeolite 4A, Ag7.6 Na4.4 -A. Ag+ ions prefer 6-ring sites. One Ag+ ion is reduced.","Journal of Physical Chemistry","1987","91","","671","674","10.1021/j100287a035","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510000","12.259","","12.259","","12.259","","90","","90","","90","","1842.32","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag9.8 Si12 Al12 O48 (Br2)6","","- Ag9.8 Al12 Br12 O48 Si12 -","- Ag9.8 Al12 Br12 O48 Si12 -","- Ag9.8 Al12 Br12 O48 Si12 -","1","0.0208333","","Seff, K.; Kim, Y.","The crystal structure of a bromine sorption complex of dehydrated fully silver(1+) ion-exchanged zeolite A","Journal of Physical Chemistry","1978","82","","925","929","10.1021/j100497a017","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510044","12.255","","12.255","","12.255","","90","","90","","90","","1840.52","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Rb11.85 Ag3.02 (Al12 Si12 O48)","","- Ag3.02 Al12 O48 Rb11.85 Si12 -","- Ag3.024 Al12 O48 Rb11.848 Si12 -","- Ag3.024 Al12 O48 Rb11.848 Si12 -","1","0.0208333","","Song, S.H.; Seff, K.; Kim, Y.","Formation of hexasilver at the center of the large cavity. Three crystal structures of dehydrated Ag± and Ca2+ -exchanged zeolite A, Ag(12-2x) Ca(x)-A (x=2,3 and 4) treated with rubidium vapor","Journal of Physical Chemistry","1991","95","","9919","9924","10.1021/j100177a057","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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",""
"1523087","6.59","","6.59","","6.59","","90","","90","","90","","286.191","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pb Po -","- Pb Po -","- Pb4 Po4 -","4","0.0208333","","Witteman, W.G.; Giorgi, A.L.; Vier, D.T.","The preparation abd identification of some intermetallic compounds of polonium","Journal of Physical Chemistry","1960","64","","434","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523088","6.796","","6.796","","6.796","","90","","90","","90","","313.877","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Po Sr -","- Po Sr -","- Po4 Sr4 -","4","0.0208333","","Witteman, W.G.; Giorgi, A.L.; Vier, D.T.","The preparation and identification of some intermetallic compounds of polonium","Journal of Physical Chemistry","1960","64","","434","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1523089","6.309","","6.309","","6.309","","90","","90","","90","","251.12","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Po Zn -","- Po Zn -","- Po4 Zn4 -","4","0.0416667","","Witteman, W.G.; Giorgi, A.L.; Vier, D.T.","The preparation and identification of some intermetallic compounds of polonium","Journal of Physical Chemistry","1960","64","","434","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523090","6.25","","6.25","","6.25","","90","","90","","90","","244.141","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Hg Po -","- Hg Po -","- Hg4 Po4 -","4","0.0208333","","Witteman, W.G.; Giorgi, A.L.; Vier, D.T.","The preparation and identification of some intermetallic compounds of polonium","Journal of Physical Chemistry","1960","64","","434","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523128","6.687","","6.687","","6.687","","90","","90","","90","","299.016","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Li3 Pb -","- Li3 Pb -","- Li12 Pb4 -","4","0.0208333","","Zalkin, A.; Ramsey, W.J.","Intermetallic compounds between lithium and lead. I. The structures of Li3 Pb and Li7 Pb2","Journal of Physical Chemistry","1956","60","","234","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1523129","4.751","","4.751","","8.589","","90","","90","","120","","167.897","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","","","- Li7 Pb2 -","- Li7 Pb2 -","- Li7 Pb2 -","1","0.166667","","Zalkin, A.; Ramsey, W.J.","Intermetallic compounds between lithium and lead. I. The structures of Li3 Pb and Li7 Pb2","Journal of Physical Chemistry","1956","60","","234","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523130","4.987","","4.987","","6.188","","90","","90","","120","","133.278","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Li Pb -","- Li Pb -","- Li3 Pb3 -","3","0.0833333","","Zalkin, A.; Ramsey, W.J.","Intermetallic compounds between lithium and lead. III. the beta'-beta transition in Li Pb","Journal of Physical Chemistry","1957","61","","1413","1415","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1523131","20.08","","20.08","","20.08","","90","","90","","90","","8096.38","","","","","","","","","","","","","2","F 2 3","F 2 2 3","196","","","","- Li22 Pb5 -","- Li22 Pb5 -","- Li352 Pb80 -","16","0.333333","","Zalkin, A.; Ramsey, W.J.","Intermetallic compounds between lithium and lead. IV. The crystal structure of Li22 Pb5","Journal of Physical Chemistry","1958","62","","689","693","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"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",""
"1524780","25.089","","25.089","","25.089","","90","","90","","90","","15792.5","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Tl88 (Al88 Si104 O384)","","- Al87.9936 O384 Si104.006 Tl45.76 -","- Al87.9936 O384 Si104.006 Tl45.76 -","- Al87.9936 O384 Si104.006 Tl45.76 -","1","0.00520833","","de Boer, J.J.; Maxwell, I.E.","The crystal structure of hydrated thallium-exchanged zeolite X","Journal of Physical Chemistry","1974","78","","2395","2399","","","","","","","","","","","","","","","","","","","","","","has coordinates","145611","2020-10-21","18:00:00",""
"1525228","6.902","","6.961","","15.982","","87.66","","85.22","","60.81","","668.009","","","","","","","","","","","","","4","P -1","-P 1","2","","Mg3 (P O4)2 (H2 O)22","","- H44 Mg3 O30 P2 -","- H44 Mg3 O30 P2 -","- H44 Mg3 O30 P2 -","1","0.5","","Schroeder, L.W.; Mathew, M.; Brown, W.E.","(X O4)(-n) ion hydration. The crystal structure of Mg3 (P O4)2 (H2 O)22","Journal of Physical Chemistry","1978","82","","2335","2340","","","","","","","","","","","","","","","","","","","","","","has coordinates","146150","2020-10-21","18:00:00",""
"1525466","6.665","","6.665","","6.665","","90","","90","","90","","296.074","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd Po -","- Cd Po -","- Cd4 Po4 -","4","0.0416667","","Witteman, W.G.; Vier, D.T.; Giorgi, A.L.","The preparation and identification of some intermetallic compounds of polonium","Journal of Physical Chemistry","1960","64","","434","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","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",""
"1527182","7.865","","4.731","","9.421","","90","","90","","90","","350.549","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba Cl2 -","- Ba Cl2 -","- Ba4 Cl8 -","4","0.5","","Brackett, E.B.; Brackett, T.E.; Sass, R.L.","The crystal structures of barium chloride, barium bromide and barium iodide","Journal of Physical Chemistry","1963","67","","2132","2135","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1527183","8.276","","4.956","","9.919","","90","","90","","90","","406.836","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba Br2 -","- Ba Br2 -","- Ba4 Br8 -","4","0.5","","Brackett, E.B.; Brackett, T.E.; Sass, R.L.","The crystal structures of barium chloride, barium bromide and barium iodide","Journal of Physical Chemistry","1963","67","","2132","2135","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1527184","8.922","","5.304","","10.695","","90","","90","","90","","506.112","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba I2 -","- Ba I2 -","- Ba4 I8 -","4","0.5","","Brackett, E.B.; Brackett, T.E.","The crystal structures of barium chloride, barium bromide and barium iodide","Journal of Physical Chemistry","1963","67","","2132","2135","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1527284","9.17","","9.17","","4.636","","90","","90","","90","","389.836","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Cr5 Si3 -","- Cr5 Si3 -","- Cr20 Si12 -","4","0.125","","Dauben, C.H.; Templeton, D.H.; Myers, C.E.","The crystal structure of Cr5 Si3","Journal of Physical Chemistry","1956","60","","443","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527343","5.09","","5.09","","9.83","","90","","90","","120","","220.556","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","K Pu O2 C O3","","- C K O5 Pu -","- C K O5 Pu -","- C2 K2 O10 Pu2 -","2","0.0833333","","Ellinger, F.H.; Zachariasen, W.H.","The crystal structure of K Pu O2 C O3, N H4 Pu O2 C O3 and R B Am O2 C O3","Journal of Physical Chemistry","1954","58","","405","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527344","5.09","","5.09","","10.39","","90","","90","","120","","233.121","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","N H4 Pu O2 C O3","","- C H4 N O5 Pu -","- C N O5 Pu -","- C2 N2 O10 Pu2 -","2","0.0833333","","Ellinger, F.H.; Zachariasen, W.H.","The crystal structure of K Pu O2 C O3, N H4 Pu O2 C O3 and R B Am O2 C O3","Journal of Physical Chemistry","1954","58","","405","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527345","5.12","","5.12","","10.46","","90","","90","","120","","237.466","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Rb Am O2 C O3","","- C Am O5 Rb -","- C Am O5 Rb -","- C2 Am2 O10 Rb2 -","2","0.0833333","","Ellinger, F.H.; Zachariasen, W.H.","The crystal structure of K Pu O2 C O3, N H4 Pu O2 C O3 and R B Am O2 C O3","Journal of Physical Chemistry","1954","58","","405","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1527388","3.956","","3.956","","13.67","","90","","90","","90","","213.935","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","K2 Nb O3 F","","- F K2 Nb O3 -","- F K2 Nb O3 -","- F2 K4 Nb2 O6 -","2","0.0625","","Galasso, F.; Darby, W.","Preparation, structure, and properties of K2 Nb O3 F","Journal of Physical Chemistry","1962","66","","1318","1320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527389","3.84","","3.84","","12.98","","90","","90","","90","","191.398","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr2 Fe O3 F","","- F Fe O3 Sr2 -","- F Fe O3 Sr2 -","- F2 Fe2 O6 Sr4 -","2","0.0625","","Galasso, F.; Darby, W.","Preparation and properties of Sr2 Fe O3 F","Journal of Physical Chemistry","1963","67","","1451","1453","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527512","6.414","","6.414","","6.414","","90","","90","","90","","263.868","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ir3 Te8 -","- Ir3 Te8 -","- Ir3 Te8 -","1","0.0416667","","Hockings, E.F.; White, J.G.","The system iridium-tellurium","Journal of Physical Chemistry","1960","64","","1042","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527671","4.729","","4.729","","4.729","","90","","90","","90","","105.757","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Os Si -","- Os Si -","- Os4 Si4 -","4","0.333333","","Korst, W.L.; Searcy, A.W.; Finnie, L.N.","The crystal structures of the monosilicides of osmium, iridium and ruthenium","Journal of Physical Chemistry","1957","61","","1541","1543","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527672","5.558","","3.211","","6.273","","90","","90","","90","","111.953","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ir Si -","- Ir Si -","- Ir4 Si4 -","4","0.5","","Korst, W.L.; Finnie, L.N.; Searcy, A.W.","The crystal structures of the monosilicides of osmium, iridium and ruthenium","Journal of Physical Chemistry","1957","61","","1541","1543","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527721","9.065","","5.569","","7.339","","90","","90","","90","","370.495","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(H3 O) (Cl O4)","","- Cl H3 O5 -","- Cl O5 -","- Cl4 O20 -","4","0.5","","Lee, F.S.; Carpenter, G.B.","The crystal structure of perchloric acid monohydrate","Journal of Physical Chemistry","1959","63","","279","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527785","15.21","","7.69","","9.77","","90","","97.4","","90","","1133.23","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H3)3 Cr O4","","- Cr H9 N3 O4 -","- Cr H9 N3 O4 -","- Cr8 H72 N24 O32 -","8","2","","McLaren, E.H.; Helmholz, L.","The crystal and molecular structure of triamminochromium tetroxide","Journal of Physical Chemistry","1959","63","","1279","1283","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527817","7.01","","7.01","","6.19","","90","","90","","90","","304.177","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Lu (V O4)","","- Lu O4 V -","- Lu O4 V -","- Lu4 O16 V4 -","4","0.125","","Milligan, W.O.; Vernon, L.W.","Crystal structure of heavy metal orthovanadates","Journal of Physical Chemistry","1952","56","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527818","7.04","","7.04","","6.23","","90","","90","","90","","308.769","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Yb (V O4)","","- O4 V Yb -","- O4 V Yb -","- O16 V4 Yb4 -","4","0.125","","Milligan, W.O.; Vernon, L.W.","Crystal structure of heavy metal orthovanadates","Journal of Physical Chemistry","1952","56","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527819","7","","7","","6.2","","90","","90","","90","","303.8","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Tm (V O4)","","- O4 Tm V -","- O4 Tm V -","- O16 Tm4 V4 -","4","0.125","","Milligan, W.O.; Vernon, L.W.","Crystal structure of heavy metal orthovanadates","Journal of Physical Chemistry","1952","56","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527820","7.06","","7.06","","6.25","","90","","90","","90","","311.522","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Ho (V O4)","","- Ho O4 V -","- Ho O4 V -","- Ho4 O16 V4 -","4","0.125","","Milligan, W.O.; Vernon, L.W.","Crystal structure of heavy metal orthovanadates","Journal of Physical Chemistry","1952","56","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527821","7.1","","7.1","","6.27","","90","","90","","90","","316.071","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Y (V O4)","","- O4 V Y -","- O4 V Y -","- O16 V4 Y4 -","4","0.125","","Milligan, W.O.; Vernon, L.W.","Crystal structure of heavy metal orthovanadates","Journal of Physical Chemistry","1952","56","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527822","7.1","","7.1","","6.27","","90","","90","","90","","316.071","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Dy (V O4)","","- Dy O4 V -","- Dy O4 V -","- Dy4 O16 V4 -","4","0.125","","Milligan, W.O.; Vernon, L.W.","Crystal structure of heavy metal orthovanadates","Journal of Physical Chemistry","1952","56","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527823","7.15","","7.15","","6.31","","90","","90","","90","","322.583","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Tb (V O4)","","- O4 Tb V -","- O4 Tb V -","- O16 Tb4 V4 -","4","0.125","","Milligan, W.O.; Vernon, L.W.","Crystal structure of heavy metal orthovanadates","Journal of Physical Chemistry","1952","56","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527824","7.19","","7.19","","6.33","","90","","90","","90","","327.236","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Gd (V O4)","","- Gd O4 V -","- Gd O4 V -","- Gd4 O16 V4 -","4","0.125","","Milligan, W.O.; Vernon, L.W.","Crystal structure of heavy metal orthovanadates","Journal of Physical Chemistry","1952","56","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527825","7.2","","7.2","","6.35","","90","","90","","90","","329.184","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Eu (V O4)","","- Eu O4 V -","- Eu O4 V -","- Eu4 O16 V4 -","4","0.125","","Milligan, W.O.; Vernon, L.W.","Crystal structure of heavy metal orthovanadates","Journal of Physical Chemistry","1952","56","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527826","7.24","","7.24","","6.36","","90","","90","","90","","333.376","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Sm (V O4)","","- O4 Sm V -","- O4 Sm V -","- O16 Sm4 V4 -","4","0.125","","Milligan, W.O.; Vernon, L.W.","Crystal structure of heavy metal orthovanadates","Journal of Physical Chemistry","1952","56","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527827","7.33","","7.33","","6.43","","90","","90","","90","","345.477","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Nd (V O4)","","- Nd O4 V -","- Nd O4 V -","- Nd4 O16 V4 -","4","0.125","","Milligan, W.O.; Vernon, L.W.","Crystal structure of heavy metal orthovanadates","Journal of Physical Chemistry","1952","56","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527828","7.3","","7.3","","6.42","","90","","90","","90","","342.122","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Pr (V O4)","","- O4 Pr V -","- O4 Pr V -","- O16 Pr4 V4 -","4","0.125","","Milligan, W.O.; Vernon, L.W.","Crystal structure of heavy metal orthovanadates","Journal of Physical Chemistry","1952","56","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527829","7.34","","7.34","","6.47","","90","","90","","90","","348.575","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Ce (V O4)","","- Ce O4 V -","- Ce O4 V -","- Ce4 O16 V4 -","4","0.125","","Milligan, W.O.; Vernon, L.W.","Crystal structure of heavy metal orthovanadates","Journal of Physical Chemistry","1952","56","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527830","7.07","","7.07","","6.25","","90","","90","","90","","312.406","","","","","","","","","","","","","4","I 41/a m d :1","I 4bw 2bw -1bw","141","","(Er.75 Y.25) (V O4)","","- Er0.75 O4 V Y0.25 -","- Er0.75 O4 V Y0.25 -","- Er3 O16 V4 Y -","4","0.125","","Milligan, W.O.; Vernon, L.W.","Crystal structure of heavy metal orthovanadates","Journal of Physical Chemistry","1952","56","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527831","3.24","","13.01","","4.01","","90","","90","","90","","169.031","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sc O (O H)","","- H O2 Sc -","- O2 Sc -","- O8 Sc4 -","4","0.25","","Milligan, W.O.; McAtee, J.L.","Crystal structure of gamma Al O O H and gamma Sc O O H","Journal of Physical Chemistry","1956","60","","273","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527845","9.719","","7.658","","12.358","","90","","90","","90","","919.782","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 Cu Cl4","","- Cl4 Cs2 Cu -","- Cl4 Cs2 Cu -","- Cl16 Cs8 Cu4 -","4","0.5","","Morosin, B.; Lingafelter, E.C.","The configuration of the tetrachlorocuprate(II) ion","Journal of Physical Chemistry","1961","65","","50","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527996","7.543","","10.16","","5.953","","90","","90","","90","","456.219","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","K2 P O3 F","","- F K2 O3 P -","- F K2 O3 P -","- F4 K8 O12 P4 -","4","0.5","","Robinson, M.T.","The crystal structures of beta-K2 S O4 and of beta-K2 P O3 F","Journal of Physical Chemistry","1958","62","","925","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528118","6.92","","11.94","","6.44","","90","","111","","90","","496.762","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Y Cl3","","- Cl3 Y -","- Cl3 Y -","- Cl12 Y4 -","4","0.5","","Templeton, D.H.; Carter, G.F.","The crystal structure of yttrium trichloride and similar compounds","Journal of Physical Chemistry","1954","58","","940","944","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528149","8.78","","8.78","","7.52","","90","","90","","120","","502.039","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Cs3 O -","- Cs3 O -","- Cs6 O2 -","2","0.0833333","","Tsai, K.R.; Harris, P.M.; Lassettre, E.N.","The crystal structure of tricesium monoxide","Journal of Physical Chemistry","1956","60","","345","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528177","14.88","","14.88","","14.88","","90","","90","","90","","3294.65","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sr6 Li23","","- Li23 Sr6 -","- Li23 Sr6 -","- Li92 Sr24 -","4","0.0208333","","Wang, F.E.; King, A.J.; Kanda, F.A.","The crystal structure of Sr6 Li23 and Sr3 Li2","Journal of Physical Chemistry","1962","66","","2142","2145","","","","","","","","","","","","","","","","","","","","","","has coordinates","150141","2020-10-21","18:00:00",""
"1528178","9.628","","9.628","","8.55","","90","","90","","90","","792.571","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Sr3 Li2","","- Li2 Sr3 -","- Li2 Sr3 -","- Li8 Sr12 -","4","0.25","","Wang, F.E.; King, A.J.; Kanda, F.A.","The crystal structure of Sr6 Li23 and Sr3 Li2","Journal of Physical Chemistry","1962","66","","2142","2145","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528240","8.24","","4.757","","11.03","","90","","104.417","","90","","418.735","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Li8 Pb3 -","- Li8 Pb3 -","- Li16 Pb6 -","2","0.25","","Zalkin, A.; Ramsey, W.J.; Templeton, D.H.","Intermetallic compounds between lithium and lead. II. The crystal structure of Li8 Pb3","Journal of Physical Chemistry","1956","60","","1275","1277","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","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",""
"1528458","11.38","","4.28","","9.19","","90","","90","","90","","447.612","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr Br2 H2 O","","- Br2 H2 O Sr -","- Br2 H2 O Sr -","- Br8 H8 O4 Sr4 -","4","0.5","","Dyke, M.; Sass, R.L.","The Crystal Structure of Strontium Bromide Monohydrate","Journal of Physical Chemistry","1964","68","","3259","3262","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528827","10.304","","9.88","","6.235","","90","","90","","90","","634.745","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Na Fe Cl4","","- Cl4 Fe Na -","- Cl4 Fe Na -","- Cl16 Fe4 Na4 -","4","1","","Richards, R.R.; Gregory, N.W.","The Crystal Structure of Sodium Tetrachloroferrate(III)","Journal of Physical Chemistry","1965","69","","239","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528845","11.633","","11.633","","7.155","","90","","90","","90","","968.262","","","","","","","","","","","","","2","P 4/n :2","-P 4a","85","","Sr Br2","","- Br2 Sr -","- Br2 Sr -","- Br20 Sr10 -","10","1.25","","Sass, R.L.; Brackett, T.E.; Brackett, E.B.","The crystal structure of strontium bromide","Journal of Physical Chemistry","1963","67","","2862","2863","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529937","12.263","","12.263","","12.263","","90","","90","","90","","1844.12","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Ni3 Na4 (Si12 Al12 O48) O9 (H2 O)21","","- Al12 H42 Na4 Ni3 O78 Si12 -","- Al12 Na4 Ni3 O78.0016 Si12 -","- Al12 Na4 Ni3 O78.0016 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Hydrolysis in zeolites. Five-coordinate aluminum(III). Investigations of two hydrated partially ion-exchanged zeolite A crystal structures, Ni(II) Na-A and Fe(II) Na-A","Journal of Physical Chemistry","1978","82","","1650","1655","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529938","12.238","","12.238","","12.238","","90","","90","","90","","1832.87","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Fe2.7 Na2 (Si12 Al12 O48) (H2 O)14.8","","- Al12 Fe2.7 H29.6 Na2 O62.8 Si12 -","- Al12 Fe2.7 Na2 O62.8008 Si12 -","- Al12 Fe2.7 Na2 O62.8008 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Hydrolysis in zeolites. Five-coordinate aluminum(III). Investigations of two hydrated partially ion-exchanged zeolite A crystal structures, Ni(II) Na-A and Fe(II) Na-A","Journal of Physical Chemistry","1978","82","","1650","1655","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530006","15.923","","7.7011","","8.458","","90","","121.148","","90","","887.636","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Rb3 (N (Ru Cl4 (H2 O))2)","","- Cl8 H4 N O2 Rb3 Ru2 -","- Cl8 H4 N O2 Rb3 Ru2 -","- Cl16 H8 N2 O4 Rb6 Ru4 -","2","0.25","","Good, M.L.; Cavanaugh, M.A.; Trefonas, L.M.; Patil, M.D.; Dodge, J.; Alexander, C.J.; Majeste, R.J.","Further studies on the chemical and physical properties of the nitrido-bridged complexes of ruthenium","Journal of Physical Chemistry","1984","88","","483","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530166","12.206","","12.206","","12.206","","90","","90","","90","","1818.53","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag12 Si12 Al12 O48 (H2 O)3","","- Ag12 Al12 H6 O51 Si12 -","- Ag12.0008 Al12 O51 Si12 -","- Ag12.0008 Al12 O51 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","Evidence for near zero coordinate silver(I). the crystal structures of fully and partially hydrated fully Ag+ exchanged zeolite A","Journal of Physical Chemistry","1978","82","","1071","1077","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530264","12.146","","12.146","","12.146","","90","","90","","90","","1791.84","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cu7.52 (Al12 Si12 O48) O3 H5.76","","- Al12 Cu7.52 H5.76 O51 Si12 -","- Al12 Cu7.52 O51 Si12 -","- Al12 Cu7.52 O51 Si12 -","1","0.0208333","","Lee, H.S.; Seff, K.","Redox reactions of copper in zeolite A. Four crystal structures of vacuum-desolvated copper-exchanged zeolite A, Cu8-A","Journal of Physical Chemistry","1981","85","","397","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530265","12.176","","12.176","","12.176","","90","","90","","90","","1805.15","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cu8 (O H)2.25 (Al12 Si12 O48)","","- Al12 Cu8 H2.25 O50.25 Si12 -","- Al12 Cu8 O50.24 Si12 -","- Al12 Cu8 O50.24 Si12 -","1","0.0208333","","Lee, H.S.; Seff, K.","Redox reactions of copper in zeolite A. Four crystal structures of vacuum-desolvated copper-exchanged zeolite A, Cu8-A","Journal of Physical Chemistry","1981","85","","397","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530266","12.192","","12.192","","12.192","","90","","90","","90","","1812.28","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cu7.56 (O H)1.35 Al12 Si12 O48 H3.68","","- Al12 Cu7.56 H5.03 O49.35 Si12 -","- Al12 Cu7.56 O49.36 Si12 -","- Al12 Cu7.56 O49.36 Si12 -","1","0.0208333","","Lee, H.S.; Seff, K.","Redox reactions of copper in zeolite A. Four crystal structures of vacuum-desolvated copper-exchanged zeolite A, Cu8-A","Journal of Physical Chemistry","1981","85","","397","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530267","12.208","","12.208","","12.208","","90","","90","","90","","1819.42","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Cu5.68 (Al12 Si12 O48)","","- Al12 Cu5.68 O48 Si12 -","- Al12 Cu5.68 O48 Si12 -","- Al12 Cu5.68 O48 Si12 -","1","0.0208333","","Lee, H.S.; Seff, K.","Redox reactions of copper in zeolite A. Four crystal structures of vacuum-desolvated copper-exchanged zeolite A, Cu8-A","Journal of Physical Chemistry","1981","85","","397","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","155338","2020-10-21","18:00:00",""
"1530381","12.23","","12.23","","12.23","","90","","90","","90","","1829.28","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cd5.86 (Al12.29 Si11.71 O48) (H2 O)34.5","","- Al12.29 Cd5.86 H69 O82.5 Si11.71 -","- Al12.288 Cd5.86 O82.5008 Si11.712 -","- Al12.288 Cd5.86 O82.5008 Si11.712 -","1","0.0208333","","McCusker, L.B.; Seff, K.","Crystal structures of hydrated and partially dehydrated fully cadmium(II)-exchanged zeolite A","Journal of Physical Chemistry","1981","85","","166","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530382","12.24","","12.24","","12.24","","90","","90","","90","","1833.77","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cd6 Al12 Si12 O48 (H2 O)6","","- Al12 Cd6 H12 O54 Si12 -","- Al12 Cd5.9504 O53.9996 Si12 -","- Al12 Cd5.9504 O53.9996 Si12 -","1","0.0208333","","McCusker, L.B.; Seff, K.","Crystal structures of hydrated and partially dehydrated fully cadmium(II)-exchanged zeolite A","Journal of Physical Chemistry","1981","85","","166","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530544","14.601","","14.601","","14.601","","90","","90","","90","","3112.78","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","Cs2.7 D7.3 (Al10 Si38 O96)","","- Al10 Cs2.7 D7.3 O96 Si38 -","- Al9.984 Cs2.7 O96 Si38.016 -","- Al9.984 Cs2.7 O96 Si38.016 -","1","0.0208333","","Parise, J.B.; Abrams, L.; Gier, T.E.; Prince, E.; Corbin, D.R.; Jorgensen, J.D.","Flexibility of the framework of zeolite rho. Structural variation from 11 to 573 K. a study using neutron powder diffraction","Journal of Physical Chemistry","1984","88","","2303","2307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530545","14.758","","14.758","","14.758","","90","","90","","90","","3214.27","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","Cs3.78 D6.22 Si38 Al10 O96","","- Al10 Cs3.78 D6.22 O96 Si38 -","- Al9.984 Cs3.78 O96 Si38.016 -","- Al9.984 Cs3.78 O96 Si38.016 -","1","0.0208333","","Parise, J.B.; Gier, T.E.; Abrams, L.; Corbin, D.R.; Prince, E.; Jorgensen, J.D.","Flexibility of the framework of zeolite rho. Structural variation from 11 to 573 K. a study using neutron powder diffraction","Journal of Physical Chemistry","1984","88","","2303","2307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530597","12.317","","12.317","","12.317","","90","","90","","90","","1868.59","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","K11.1 (Al12 Si12 O48)","","- Al12 K11.1 O48 Si12 -","- Al12 K11.06 O48 Si12 -","- Al12 K11.06 O48 Si12 -","1","0.0208333","","Pluth, J.J.; Smith, J.V.","Crystal structure of dehydrated potassium-exchanged zeolite A. Absence of supposed zero-coordinated potassium. Refinement of Si, Al-ordered superstructure","Journal of Physical Chemistry","1979","83","","741","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","155731","2020-10-21","18:00:00",""
"1530598","12.3","","12.3","","12.3","","90","","90","","90","","1860.87","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","K11.41 (Al12 Si12 O48)","","- Al12 K11.41 O48 Si12 -","- Al12 K11.414 O48 Si12 -","- Al12 K11.414 O48 Si12 -","1","0.0208333","","Pluth, J.J.; Smith, J.V.","Crystal structure of dehydrated potassium-exchanged zeolite A. Absence of supposed zero-coordinated potassium. Refinement of Si, Al-ordered superstructure","Journal of Physical Chemistry","1979","83","","741","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","155732","2020-10-21","18:00:00",""
"1530630","6.858","","10.579","","6.646","","90","","94.01","","90","","480.992","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tc (N O) (N H3)4 (H2 O) Cl2","","- Cl2 H14 N5 O2 Tc -","- Cl2 H14 N5 O2 Tc -","- Cl4 H28 N10 O4 Tc2 -","2","0.5","","Radonovich, L.J.; Hoard, J.L.","The crystal structure and molecular stereochemistry of trans-aquonitrosyl(tetraammine)technetium dichloride. Correlation of stereochemistry with bonding theory.","Journal of Physical Chemistry","1984","88","","6711","6716","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530839","12.312","","12.312","","12.312","","90","","90","","90","","1866.32","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cs9.24 Tl2.98 Si12 Al12 O48","","- Al12 Cs9.24 O48 Si12 Tl2.98 -","- Al12 Cs9.2397 O48 Si12 Tl2.96 -","- Al12 Cs9.2397 O48 Si12 Tl2.96 -","1","0.0208333","","Subramanian, V.; Seff, K.","Crystal structure of dehydrated cesium- and thalliumexchanged zeolite A","Journal of Physical Chemistry","1979","83","","2166","2169","","","","","","","","","","","","","","","","","","","","","","has coordinates","156055","2020-10-21","18:00:00",""
"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",""
"1531754","24.7","","24.7","","24.7","","90","","90","","90","","15069.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","H11 Na29 Cu7 (Al56 Si136 O384) (H2 O)250","","- Cu6.9696 Na29.0016 O51.7024 -","- Cu6.9696 Na29.0016 O51.7024 -","- Cu6.9696 Na29.0016 O51.7024 -","1","0.00520833","","Marti, J.; Soria, J.; Cano, F.H.","Location of the cations in hydrated Na Cu Y zeolite","Journal of Physical Chemistry","1976","80","","1776","1780","","","","","","","","","","","","","","","","","","","","","","has coordinates","157307","2020-10-21","18:00:00",""
"1531757","24.7","","24.7","","24.7","","90","","90","","90","","15069.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","H11 Na21 Cu12 (Al56 Si136 O384) (H2 O)250","","- Cu12.0032 Na21 O50 -","- Cu12.0032 Na21 O50 -","- Cu12.0032 Na21 O50 -","1","0.00520833","","Marti, J.; Soria, J.; Cano, F.H.","Location of the cations in hydrated Na Cu Y zeolite","Journal of Physical Chemistry","1976","80","","1776","1780","","","","","","","","","","","","","","","","","","","","","","has coordinates","157310","2020-10-21","18:00:00",""
"1531892","24.731","","24.731","","24.731","","90","","90","","90","","15126","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","K6.84 (Al6.84 Si17.16 O48) (H2 O)2","","- Al6.84 H4 K6.84 O50 Si17.16 -","- Al6.84 K6.8388 O50 Si17.16 -","- Al54.72 K54.7104 O400 Si137.28 -","8","0.0416667","","Mortier, W.J.; Bosmans, H.J.","Location of univalent cations in synthetic zeolites of the Y and X Type with varying silicon to aluminium ratio. I. Hydrated potassium exchanged forms","Journal of Physical Chemistry","1971","75","","3327","3334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"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",""
"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",""
"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",""
"1536625","12.309","","12.309","","12.309","","90","","90","","90","","1864.95","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","K12 (Al12 Si12 O48)","","- Al12 K11 O42 Si12 -","- Al12 K11 O48 Si12 -","- Al12 K11 O48 Si12 -","1","0.0208333","","Pluth, J.J.; Smith, J.V.","Crystal structure of dehydrated potassium-exchanged zeolite A. Absence of supposed zero-coordinated potassium. Refinement of Si, Al-ordered superstructure","Journal of Physical Chemistry","1979","83","","741","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","164409","2020-10-21","18:00:00",""
"1537021","18.549","","18.549","","8.404","","90","","90","","120","","2504.14","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al18 O72 P18 -","18","0.75","","Richardson, J.W.jr.; Smith, J.V.; Pluth, J.J.","Theoretical nets with 18-ring channels: enumeration, geometrical modelling, and neutron diffraction study of Al P O4 - 54","Journal of Physical Chemistry","1989","93","","8212","8219","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537207","24.8633","","5.01238","","24.3725","","90","","107.721","","90","","2893.28","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Si O2","","- O2 Si -","- O2 Si -","- O112 Si56 -","56","7","","Fyfe, C.A.; Gies, H.; Kokotailo, G.T.; Marler, B.; Cox, D.E.","Crystal structure of silica-ZSM-12 by the combined use of high- resolution mas nmr solid-state spectroscopy and synchrotron x-ray powder diffraction.","Journal of Physical Chemistry","1990","94","","3718","3721","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537802","5.5373","","5.5373","","5.5373","","90","","90","","90","","169.783","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ge Si -","- Ge Si -","- Ge4 Si4 -","4","0.0208333","","Dismukes, J.P.; Ekstrom, L.; Paff, R.J.","Lattice parameter and density in germanium-silicon alloys","Journal of Physical Chemistry","1964","68","","3021","3027","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538639","4.193","","4.193","","4.193","","90","","90","","90","","73.718","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ti O.8).913","","- O0.7304 Ti0.913 -","- O0.73 Ti0.913 -","- O2.92 Ti3.652 -","4","0.0208333","","Loehman, R.E.; Rao, C.N.R.; Honig, J.M.","Crystallography and Defect Chemistry of Solid Solutions of Vanadium and Titanium Oxides","Journal of Physical Chemistry","1969","73","","1781","1784","","","","","","","","","","","","","","","","","","","","","","has coordinates","167307","2020-10-21","18:00:00",""
"1538818","3.74","","3.74","","4.04","","90","","90","","120","","48.939","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Lu Si2 -","- Lu Si2 -","- Lu Si2 -","1","0.0416667","","Mayer, I.P.; Post, B.; Banks, E.","High-temperature X-ray study of rare-earth silicides","Journal of Physical Chemistry","1962","66","","693","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538992","4.111","","4.111","","13.56","","90","","90","","90","","229.168","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- Nd Si2 -","- Nd Si2 -","- Nd4 Si8 -","4","0.125","","Perri, J.A.; Banks, E.; Post, B.","Polymorphism of rare earth disilicides","Journal of Physical Chemistry","1959","63","","2073","2074","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539872","24.75189","","24.75189","","24.75189","","90","","90","","90","","15164.4","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Na13.93 D44.7 (Al56 Si136 O384) (D2 O)15.15","","- Al56 D75 Na13.93 O399.15 Si136 -","- Al56.0064 D44.6976 Na13.9312 O399.149 Si135.994 -","- Al56.0064 D44.6976 Na13.9312 O399.149 Si135.994 -","1","0.00520833","","Czjzek, M.; Jobic, H.; Fitch, A.N.; Vogt, T.","Direct determination of proton positions in D-Y and H-Y zeolite samples by neutron powder diffraction","Journal of Physical Chemistry","1992","96","","1535","1540","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539874","24.76649","","24.76649","","24.76649","","90","","90","","90","","15191.2","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Na3 H53.17 (Al56 Si136 O384)","","- Al56 H53.17 Na3 O384 Si136 -","- Al56.0064 H53.1744 Na3 O384 Si135.994 -","- Al56.0064 H53.1744 Na3 O384 Si135.994 -","1","0.00520833","","Czjzek, M.; Vogt, T.; Fitch, A.N.; Jobic, H.","Direct determination of proton positions in D-Y and H-Y zeolite samples by neutron powder diffraction","Journal of Physical Chemistry","1992","96","","1535","1540","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540075","12.279","","12.279","","12.279","","90","","90","","90","","1851.35","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Cs12.94 (Al12 Si12 O48)","","- Al12 Cs12.94 O48 Si12 -","- Al12 Cs12.94 O48 Si12 -","- Al12 Cs12.94 O48 Si12 -","1","0.0208333","","Heo, N.-H.; Dejsupa, C.; Seff, K.","Preparation and structure of fully Cs+ -exchanged zeolite A","Journal of Physical Chemistry","1987","91","","3943","3944","","","","","","","","","","","","","","","","","","","","","","has coordinates","169242","2020-10-21","18:00:00",""
"1540076","12.279","","12.279","","12.279","","90","","90","","90","","1851.35","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cs13 (Al12 Si12 O48) (O H)","","- Al12 Cs13 H O49 Si12 -","- Al12 Cs13.0008 O48 Si12 -","- Al12 Cs13.0008 O48 Si12 -","1","0.0208333","","Heo, N.-H.; Dejsupa, C.; Seff, K.","Preparation and structure of fully Cs+ -exchanged zeolite A","Journal of Physical Chemistry","1987","91","","3943","3944","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540244","12.208","","12.208","","12.208","","90","","90","","90","","1819.42","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag4.6 Na7.4 (Al12 Si12 O48)","","- Ag4.6 Al12 Na7.4 O48 Si12 -","- Ag4.508 Al12 Na7.4 O48 Si12 -","- Ag4.508 Al12 Na7.4 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","Silver cluster formation in the large cavity of zeolite A. Crystal structure of Ag4.6 Na7.4 Si12 Al12 O48. Dehydrated and treated with hydrogen at 350 centigrade","Journal of Physical Chemistry","1987","91","","668","671","","","","","","","","","","","","","","","","","","","","","","has coordinates","169484","2020-10-21","18:00:00",""
"1540836","4.31","","4.31","","7.05","","90","","90","","120","","113.416","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Sr -","- Sr -","- Sr2 -","2","0.0833333","","Wang, F.E.; Kanda, F.A.; King, A.J.","The Li-Sr equilibrium system","Journal of Physical Chemistry","1962","66","","2138","2142","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541168","8.8273","","8.8273","","8.8273","","90","","90","","90","","687.834","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","(Si O2)12 (C2 H4 (O H)2)2","","- C4 H12 O28 Si12 -","- C4 H7.9968 O27.9996 Si12 -","- C4 H7.9968 O27.9996 Si12 -","1","0.0104167","","Richardson, J.W.jr.; Dytrych, W.J.; Pluth, J.J.; Smith, J.V.; Bibby, D.M.","Conformation of ethylene glycol and phase change in silica sodalite","Journal of Physical Chemistry","1988","92","","243","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","172423","2020-10-21","18:00:00",""
"1541214","3.76","","3.76","","4.07","","90","","90","","120","","49.831","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Tm Si2","","- Si2 Tm -","- Si2 Tm -","- Si2 Tm -","1","0.0416667","","Mayer, I.P.; Banks, E.; Post, B.","High-temperature X-ray study of rare-earth silicides","Journal of Physical Chemistry","1962","66","","693","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541215","3.85","","3.85","","4.14","","90","","90","","120","","53.144","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Y Si2","","- Si2 Y -","- Si2 Y -","- Si2 Y -","1","0.0416667","","Mayer, I.P.; Banks, E.; Post, B.","Rare earth disilicides","Journal of Physical Chemistry","1962","66","","693","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541296","10.5659","","8.2053","","5.0247","","90","","90","","90","","435.623","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Li Ga (Si O4) (D2 O).9","","- D1.8 Ga Li O4.9 Si -","- D0.29 Ga Li O4.9 Si0.98 -","- D1.16 Ga4 Li4 O19.6 Si3.92 -","4","1","","Newsam, J.M.","Synthesis and structural characterization of a lithium gallosilicate with the zeolite abw framework","Journal of Physical Chemistry","1988","92","","445","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541297","10.465","","8.2113","","5.0268","","90","","90","","90","","431.959","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Li Ga (Si O4) (D2 O)","","- D2 Ga Li O5 Si -","- D0.26 Ga Li O5 Si0.97 -","- D1.04 Ga4 Li4 O20 Si3.88 -","4","1","","Newsam, J.M.","Synthesis and structural characterization of a lithium gallosilicate with the zeolite abw framework","Journal of Physical Chemistry","1988","92","","445","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541298","18.46","","18.46","","7.4798","","90","","90","","120","","2207.42","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","K11.7 (Al1.8 Si34.2 O72)","","- Al1.8 K11.7 O72 Si34.2 -","- Al1.8 K11.7 O72 Si34.2 -","- Al1.8 K11.7 O72 Si34.2 -","1","0.0416667","","Newsam, J.M.","Structures of dehydrated potassium zeolite L at 298 and 78k and 78 K containing sorbed perdeuteriobenzene","Journal of Physical Chemistry","1989","93","","7689","7694","","","","","","","","","","","","","","","","","","","","","","has coordinates","172593","2020-10-21","18:00:00",""
"1541533","24.41","","24.41","","24.41","","90","","90","","90","","14544.7","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ca5 Ni24 Al58 Si134 O384 (H2 O)7.68","","- Al58.0032 Ni23.84 O391.68 Si133.997 -","- Al58.0032 Ni23.84 O391.68 Si133.997 -","- Al58.0032 Ni23.84 O391.68 Si133.997 -","1","0.00520833","","Olson, D.H.","Crystal structure of the zeolite nickel faujasite","Journal of Physical Chemistry","1968","72","","4366","4373","","","","","","","","","","","","","","","","","","","","","","has coordinates","172883","2020-10-21","18:00:00",""
"1541544","24.6","","24.6","","24.6","","90","","90","","90","","14886.9","","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","K91 Al96 Si96 O384","","- Al96 K91 O384 Si96 -","- Al96 K91.056 O384 Si96 -","- Al96 K91.056 O384 Si96 -","1","0.00520833","","Pluth, J.J.; Smith, J.V.","Crystal structure of dehydrated potassium-exchanged zeolite A. Absence of supposed zero-coordinated potassium. Refinement of Si, Al-ordered superstructure","Journal of Physical Chemistry","1979","83","","741","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","172895","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",""
"1541584","8.33","","8.33","","8.33","","90","","90","","90","","578.01","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Cu (Mn O2)2","","- Cu Mn2 O4 -","- Cu Mn2 O4 -","- Cu8 Mn16 O32 -","8","0.0416667","","Sinha, A.P.B.; Sanjana, N.R.; Biswas, A.B.","The crystal structure of copper manganite","Journal of Physical Chemistry","1958","62","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541643","7.15","","7.15","","7.15","","90","","90","","90","","365.526","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K Si H3","","- H3 K Si -","- H3 K Si -","- H12 K4 Si4 -","4","0.0208333","","Ring, M.A.; Ritter, D.M.","Crystal structure of potassium silyl","Journal of Physical Chemistry","1961","65","","182","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","186634","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",""
"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",""
"1542176","5.23","","5.23","","7.04","","90","","90","","120","","166.766","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ca Na (P O4)","","- Ca Na O4 P -","- Ca Na O4 P -","- Ca2 Na2 O8 P2 -","2","0.166667","","Bredig, M.A.","Isomorphism and allotropy in compounds of the type A2 X O4","Journal of Physical Chemistry","1942","46","","747","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","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",""
"1542247","5.26","","5.26","","10.94","","90","","90","","90","","302.684","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Li Y F4","","- F4 Li Y -","- F4 Li Y -","- F16 Li4 Y4 -","4","0.25","","Thoma, R.E.; Weaver, C.F.; Harris, L.A.; Friedman, H.A.; Insley, H.; Yakel, H.L.jr.","Phase equilibria in the system (Li F) (Y F3)","Journal of Physical Chemistry","1961","65","","1096","1099","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1564305","8.8991","","9.1263","","13.7411","","102.509","","94.403","","112.207","","993.032","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C4 H6 O3 -","- C4 H6 O3 -","- C32 H48 O24 -","8","4","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267957","2021-08-05","13:20:43",""
"1564306","9.732","","6.8118","","26.969","","90","","97.3425","","90","","1773.18","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 O3 -","- C8 H14 O3 -","- C64 H112 O24 -","8","1","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267877","2021-08-01","02:56:11",""
"1564307","9.5742","","7.399","","10.2346","","90","","107.188","","90","","692.633","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 O3 -","- C6 H10 O3 -","- C24 H40 O12 -","4","1","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267878","2021-08-01","03:11:37",""
"1564308","4.8902","","28.1219","","5.1787","","90","","98.915","","90","","703.58","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H10 O3 -","- C6 H10 O3 -","- C24 H40 O12 -","4","2","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267879","2021-08-01","03:15:25",""
"9012722","6.465","","6.465","","6.465","","90","","90","","90","","270.213","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Cesium","","Cesium","- Cs -","- Cs -","- Cs4 -","4","0.0208333","","Weir, C. E.; Piermarini, G. J.; Block, S.","On the crystal structures of Cs II and Ga II Sample: at room T Note: known as cesium-II","Journal of Physical Chemistry","1971","54","","2768","2770","10.1063/1.1675251","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012723","2.808","","2.808","","4.458","","90","","90","","90","","35.151","","","","","","","","","","","","Synthetic","1","I 4/m m m","-I 4 2","139","Gallium","","Gallium","- Ga -","- Ga -","- Ga2 -","2","0.0625","","Weir, C. E.; Piermarini, G. J.; Block, S.","On the crystal structures of Cs II and Ga II Sample: at P > .002 GPa & room T Note: known as gallium-II","Journal of Physical Chemistry","1971","54","","2768","2770","10.1063/1.1675251","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012726","6.076","","6.076","","6.076","","90","","90","","90","","224.312","","","","298.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Strontium","","Strontium","- Sr -","- Sr -","- Sr4 -","4","0.0208333","","Hirst, R. G.; King, A. J.; Kanda, F. A.","The barium-strontium equilibrium system Sample: at T = 25 C note: known as alpha-strontium","Journal of Physical Chemistry","1956","60","","302","304","10.1021/j150537a011","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012727","4.87","","4.87","","4.87","","90","","90","","90","","115.501","","","","901.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Strontium","","Strontium","- Sr -","- Sr -","- Sr2 -","2","0.0208333","","Hirst, R. G.; King, A. J.; Kanda, F. A.","The barium-strontium equilibrium system Sample: at T = 628 C note: known as beta-strontium","Journal of Physical Chemistry","1956","60","","302","304","10.1021/j150537a011","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012728","4.28","","4.28","","7.05","","90","","90","","120","","111.843","","","","498.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Strontium","","Strontium","- Sr -","- Sr -","- Sr2 -","2","0.0833333","","Hirst, R. G.; King, A. J.; Kanda, F. A.","The barium-strontium equilibrium system Sample: at T = 225 C note: known as gamma-strontium","Journal of Physical Chemistry","1956","60","","302","304","10.1021/j150537a011","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012729","5.013","","5.013","","5.013","","90","","90","","90","","125.978","","","","298.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Barium","","Barium","- Ba -","- Ba -","- Ba2 -","2","0.0208333","","Hirst, R. G.; King, A. J.; Kanda, F. A.","The barium-strontium equilibrium system Sample: at T = 25 C","Journal of Physical Chemistry","1956","60","","302","304","10.1021/j150537a011","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012730","4","","4","","6.5","","90","","90","","120","","90.067","","","","688.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Calcium","","Calcium","- Ca -","- Ca -","- Ca2 -","2","0.0833333","","Schottmiller, J. C.; King, A. J.; Kanda, F. A.","The calcium-strontium metal phase system Sample: at T = 415 C","Journal of Physical Chemistry","1958","62","","1446","1449","10.1021/j150569a024","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012731","5.601","","5.601","","5.601","","90","","90","","90","","175.71","","","","298.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Calcium","","Calcium","- Ca -","- Ca -","- Ca4 -","4","0.0208333","","Schottmiller, J. C.; King, A. J.; Kanda, F. A.","The calcium-strontium metal phase system Sample: at T = 25 C","Journal of Physical Chemistry","1958","62","","1446","1449","10.1021/j150569a024","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012732","4.488","","4.488","","4.488","","90","","90","","90","","90.398","","","","888.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Calcium","","Calcium","- Ca -","- Ca -","- Ca2 -","2","0.0208333","","Schottmiller, J. C.; King, A. J.; Kanda, F. A.","The calcium-strontium metal phase system Sample: at T = 615 C","Journal of Physical Chemistry","1958","62","","1446","1449","10.1021/j150569a024","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"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",""