# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T14:23:12+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Solid State Chemistry') AND volume = 62 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
"1000214","7.49","0.001","10.031","0.002","10.271","0.003","82.98","0.02","73.88","0.02","70.42","0.02","698.1","","","","","","","","","","","","","3","P -1","-P 1","2","","Barium copper(II) fluoride (6/11/34)","","- Ba6 Cu11 F34 -","- Ba6 Cu11 F34 -","- Ba6 Cu11 F34 -","1","0.5","","Renaudin, J; Pannetier, J; de Kozak, A; Samouel, M; Ferey, G","Complex copper(II) fluorides IV. Crystal structure of Ba~6~ Cu~11~ F~34~: First evidence of trinuclear edge-sharing units and defective NaCl-type blocks in crystal chemistry of fluorides","Journal of Solid State Chemistry","1986","62","","164","171","10.1016/0022-4596(86)90227-6","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000402","7.477","0.001","10.862","0.002","6.652","0.001","90","","90","","90","","540.2","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron iron(III) fluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Pannetier, J; Labbe, P; Ferey, G","A new refinement of the crystal structure of the inverse Weberite Fe2 F5 (H2 O)2","Journal of Solid State Chemistry","1986","62","","274","277","10.1016/0022-4596(86)90240-9","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000403","5.365","0.001","6.95","0.001","7.433","0.001","65.05","0.01","70.26","0.02","73.19","0.02","233","","","","","","","","","","","","","4","P -1","-P 1","2","","Barium vanadium copper fluoride (2/2/1/12)","","- Ba2 Cu F12 V2 -","- Ba2 Cu F12 V2 -","- Ba2 Cu F12 V2 -","1","0.5","","Renaudin, J; Laligant, Y; Samouel, M; de Kozak, A; Ferey, G","Complex copper(II) fluorides III. Crystal structure of Ba2 Cu V2 F12; A new bidimensional M X4 network","Journal of Solid State Chemistry","1986","62","","158","163","10.1016/0022-4596(86)90226-4","","","","","","0.0327","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001675","8.754","0.002","5.11","0.001","14.28","0.003","90","","101.8","0.02","90","","625.3","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Iron(III) trigermanate","","- Fe8 Ge3 O18 -","- Fe8 Ge3 O18 -","- Fe16 Ge6 O36 -","2","0.5","","Agafonov, V; Kahn, A; Michel, D; Perez y Jorba, M","Structural investigation of a new iron germanate Fe8 Ge3 O18","Journal of Solid State Chemistry","1986","62","","397","401","10.1016/0022-4596(86)90255-0","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001676","7.132","0.001","7.741","0.001","9.702","0.002","90","","110.62","0.02","90","","501.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dialuminium digermanate","","- Al2 Ge2 O7 -","- Al2 Ge2 O7 -","- Al8 Ge8 O28 -","4","0.5","","Agafonov, V; Kahn, A; Michel, D; Perez y Jorba, M","Crystal structure of a new digermanate: Al2 Ge2 O7","Journal of Solid State Chemistry","1986","62","","402","404","10.1016/0022-4596(86)90256-2","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004110","13.139","0.004","10.413","0.006","9.239","0.006","90","","90","","90","","1264","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dipotassium tribismuth oxide tris(phosphate)","","- Bi3 K2 O13 P3 -","- Bi3 K2 O13 P3 -","- Bi12 K8 O52 P12 -","4","0.5","","Debreuille-Gresse, M F; Drache, M; Abraham, F","The crystal structure, phase transition, and dielectric properties of K2 Bi3 (P O4)3 O, a new oxyphosphate","Journal of Solid State Chemistry","1986","62","","351","359","10.1016/0022-4596(86)90250-1","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004111","13.302","0.004","10.506","0.007","9.24","0.005","90","","90","","90","","1291.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dipotassium tribismuth oxide tris(phosphate)","","- Bi3 K2 O13 P3 -","- Bi3 K2 O13 P3 -","- Bi12 K8 O52 P12 -","4","0.5","","Debreuille-Gresse, M F; Drache, M; Abraham, F","The crystal structure, phase transition, and dielectric properties of K2 Bi3 (P O4)3 O, a new oxyphosphate","Journal of Solid State Chemistry","1986","62","","351","359","10.1016/0022-4596(86)90250-1","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005018","17.75","0.003","5.66","0.0009","11.07","0.002","90","","90","","90","","1112.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Lanthanum molybdenum aluminum oxide (3/4.3/.7/14)","","- Al0.67 La3 Mo4.33 O14 -","- Al0.692 La3 Mo4.308 O14 -","- Al2.768 La12 Mo17.232 O56 -","4","0.5","","McCarroll, W H; Podejko, K; Cheetham, A K; Thomas, D M; DiSalvo, F J","The crystal structure of La3 Mo4.33 Al.67 O14 and the electronic structure of La3 Mo4 X O14 (X=Si, Mo1/3 Al2/3; Al1/2 V1/2)","Journal of Solid State Chemistry","1986","62","","241","252","10.1016/0022-4596(86)90237-9","","","","","","0.0343","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1529527","5.493","","5.496","","28.75","","90","","90","","90","","867.949","","","","","","","","","","","","","4","P 21 c n","P -2n 2a","33","","(Bi O)4 (Nb O4) Cl","","- Bi4 Cl Nb O8 -","- Bi4 Cl Nb O8 -","- Bi16 Cl4 Nb4 O32 -","4","1","","Ackerman, J.F.","The structures of Bi3 Pb W O8 Cl and Bi4 Nb O8 Cl and the evolution of the Bipox structure series","Journal of Solid State Chemistry","1986","62","","92","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529528","3.894","","3.894","","14.34","","90","","90","","90","","217.441","","","","","","","","","","","","","5","P 4","P 4","75","","Bi2 (Bi Pb) W O8 Cl","","- Bi3 Cl O8 Pb W -","- Bi3 Cl O8 Pb W -","- Bi3 Cl O8 Pb W -","1","0.25","","Ackerman, J.F.","The structures of Bi3 Pb W O8 Cl and Bi4 Nb O8 Cl and the evolution of the Bipox structure series","Journal of Solid State Chemistry","1986","62","","92","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529529","24.4244","","24.4244","","24.4244","","90","","90","","90","","14570.4","","","","","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","Na8.28 Mg1.8 (Al12 Si12 O48) (H2 O).74","","- Al12 H1.48 Mg1.8 Na8.28 O48.74 Si12 -","- Al12 H1.44 Mg1.8 Na8.284 O48.736 Si12 -","- Al96 H11.52 Mg14.4 Na66.272 O389.888 Si96 -","8","0.0416667","","Adams, J.M.; Rees, L.V.C.","The structure of a dehydrated partially magnesium exchanged zeolite A (Mg2 Na8 A) by neutron profile refinement","Journal of Solid State Chemistry","1986","62","","184","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529597","9.8732","","9.8732","","9.8732","","90","","90","","90","","962.44","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","K Ba Fe2 (P O4)3","","- Ba Fe2 K O12 P3 -","- Ba Fe2 K O12 P3 -","- Ba4 Fe8 K4 O48 P12 -","4","0.333333","","Battle, P.D.; Harrison, W.T.A.; Cheetham, A.K.; Long, G.J.","The crystal structure and magnetic properties of the synthetic Langbeinite K Ba Fe2 (P O4)3","Journal of Solid State Chemistry","1986","62","","16","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529757","5.6153","","5.6153","","33.7119","","90","","90","","120","","920.576","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Na1.82 Al10.2 Co.701 O16.9","","- Al10.2 Co0.701 Na1.82 O16.9 -","- Al10.116 Co0.7008 Na1.812 O16.936 -","- Al30.348 Co2.1024 Na5.436 O50.808 -","3","0.0833333","","Chen, S.; White, D.R.; Sato, H.; Robinson, W.R.; Lewis, J.B.","Structural characterization and ionic conductivity of Co2+ stabilized beta"" -alumina","Journal of Solid State Chemistry","1986","62","","26","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","154368","2020-10-21","18:00:00",""
"1529839","4.9634","","4.9634","","4.6172","","90","","90","","120","","98.507","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Li2 (Nb F6)","","- F6 Li2 Nb -","- F6 Li2 Nb -","- F6 Li2 Nb -","1","0.0833333","","de Bournonville, M.B.; Quarton, M.; Bizot, D.; Chassaing, J.","Structures et proprietes magnetiques de Li2 Nb F6 et Na2 Nb F6","Journal of Solid State Chemistry","1986","62","","212","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529840","5.042","","5.042","","10.2767","","90","","90","","90","","261.252","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Na2 Nb F6","","- F6 Na2 Nb -","- F6 Na2 Nb -","- F12 Na4 Nb2 -","2","0.125","","de Bournonville, M.B.; Bizot, D.; Chassaing, J.; Quarton, M.","Structures et proprietes magnetiques de Li2 Nb F6 et Na2 Nb F6","Journal of Solid State Chemistry","1986","62","","212","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530378","14.676","","6.28","","15.254","","90","","101.78","","90","","1376.28","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- Cu6 Mo5 O18 -","- Cu6 Mo5 O18 -","- Cu24 Mo20 O72 -","4","0.5","","McCarron, E.M.; Calabrese, J.C.","Hydrothermal synthesis and structure of (Cu(+))6 (Mo(6+))5 O18","Journal of Solid State Chemistry","1986","62","","64","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530436","10.55","","13.985","","6.398","","90","","104.87","","90","","912.359","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Na4 Ni7 (P O4)6","","- Na4 Ni7 O24 P6 -","- Na4 Ni7 O24 P6 -","- Na8 Ni14 O48 P12 -","2","0.5","","Moring, J.; Kostiner, E.","The crystal structure of Na4 Ni7 (P O4)6","Journal of Solid State Chemistry","1986","62","","105","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","155540","2020-10-21","18:00:00",""
"1530465","6.914","","6.966","","12.751","","96.82","","91.14","","89.64","","609.655","","","","","","","","","","","","","3","P -1","-P 1","2","","Pb2 (P2 O7)","","- O7 P2 Pb2 -","- O7 P2 Pb2 -","- O28 P8 Pb8 -","4","2","","Mullica, D.F.; Grossie, D.A.; Perkins, H.O.; Sales, B.C.; Boatner, L.A.","Structure of dichromate-type lead pyrophosphate Pb2 P2 O7","Journal of Solid State Chemistry","1986","62","","371","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","155579","2020-10-21","18:00:00",""
"1530472","10.2707","","10.2707","","10.2707","","90","","90","","90","","1083.43","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Bi12 Pb O19","","- Bi12 O19 Pb -","- Bi11.999 O19 Pb1.001 -","- Bi23.998 O38 Pb2.002 -","2","0.0833333","","Murray, A.D.; Catlow, C.R.A.; Drennan, J.; Beech, F.","A neutron powder diffraction study of the low temperature and high-temperature structures of Bi12 Pb O19","Journal of Solid State Chemistry","1986","62","","290","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539747","8.3941","0.0007","8.3941","0.0007","8.3941","0.0007","90","","90","","90","","591.456","","","","","","","","","","","","Sample No. 633A, Dana Collection, University of Western Ontario","2","F -4 3 m","F -4 2 3","216","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0833333","","Fleet, Michael E.","The structure of magnetite: Symmetry of cubic spinels","Journal of Solid State Chemistry","1986","62","","75","82","10.1016/0022-4596(86)90218-5","","","","","","","","","","","","","","","","","","","","","has coordinates","287706","2023-11-21","15:12:28",""
"9012189","4.749","","4.749","","9.192","","90","","90","","90","","207.307","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","Ferrotapiolite","- Fe O6 Ta2 -","- Fe O6 Ta2 -","- Fe2 O12 Ta4 -","2","0.125","","Eicher, S. M.; Greedan, J. E.; Lushington, K. J.","The magnetic properties of FeTa2O6. Magnetic structure and low-dimensional behavior Locality: synthetic","Journal of Solid State Chemistry","1986","62","","220","230","10.1016/0022-4596(86)90235-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9017923","8.3969","","8.3969","","8.3969","","90","","90","","90","","592.048","","","","","","","","","","annealed at 1373 K","","Natural, not provided","2","F d -3 m :1","F 4d 2 3 -1d","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Fleet, M. E.","The structure of magnetite: Symmetry of cubic spinels Note: Sample 633,MT1B, annealed at 1373 K","Journal of Solid State Chemistry","1986","62","","75","82","10.1016/0022-4596(86)90218-5","","","","","","","","","","","","","","","","","","","","","has coordinates","287729","2023-11-22","09:54:02",""
"9017924","8.3941","","8.3941","","8.3941","","90","","90","","90","","591.456","","","","","","","","","","","","Natural, not provided","2","F d -3 m :1","F 4d 2 3 -1d","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Fleet, M. E.","The structure of magnetite: Symmetry of cubic spinels Note: Sample 633C","Journal of Solid State Chemistry","1986","62","","75","82","10.1016/0022-4596(86)90218-5","","","","","","","","","","","","","","","","","","","","","has coordinates","287729","2023-11-22","09:54:03",""
"9017925","8.3985","","8.3985","","8.3985","","90","","90","","90","","592.387","","","","","","","","","","","","Natural, not provided","2","F d -3 m :1","F 4d 2 3 -1d","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Fleet, M. E.","The structure of magnetite: Symmetry of cubic spinels Note: Sample 633D","Journal of Solid State Chemistry","1986","62","","75","82","10.1016/0022-4596(86)90218-5","","","","","","","","","","","","","","","","","","","","","has coordinates","287729","2023-11-22","09:54:04",""
"9017926","8.3941","","8.3941","","8.3941","","90","","90","","90","","591.456","","","","","","","","","","","","Natural, not provided","2","F d -3 m :1","F 4d 2 3 -1d","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Fleet, M. E.","The structure of magnetite: Symmetry of cubic spinels Note: Sample 633A","Journal of Solid State Chemistry","1986","62","","75","82","10.1016/0022-4596(86)90218-5","","","","","","","","","","","","","","","","","","","","","has coordinates","287729","2023-11-22","09:54:04",""