# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-25T09:11:30+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 = 61 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
"1001335","5.2927","0.0007","6.5604","0.0007","23.549","0.003","90","","90","","90","","817.7","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phosphorus tungsten oxide (1/3/11)","","- O11 P W3 -","- O11 P W3 -","- O44 P4 W12 -","4","1","","Labbe, P; Goreaud, M; Raveau, B","Monophosphate tungsten bronzes with pentagonal tunnels (P O~2~)~4~ (W O~3~)~2m~: Structure of two even-m members P~4~ W~12~ O~44~ (m=6) and P~4~ W~16~ O~56~ (m=8)","Journal of Solid State Chemistry","1986","61","","324","331","10.1016/0022-4596(86)90038-1","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001336","5.2943","0.0005","6.5534","0.0004","29.7","0.004","90","","90","","90","","1030.5","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phosphorus tungsten oxide (1/4/14)","","- O14 P W4 -","- O14 P W4 -","- O56 P4 W16 -","4","1","","Labbe, P; Goreaud, M; Raveau, B","Monophosphate tungsten bronzes with pentagonal tunnels (P O~2~)~4~ (W O~3~)~2m~: Structure of two even-m members P~4~ W~12~ O~44~ (m=6) and P~4~ W~16~ O~56~ (m=8)","Journal of Solid State Chemistry","1986","61","","324","331","10.1016/0022-4596(86)90038-1","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001674","5.882","0.002","5.882","0.002","14.237","0.008","90","","90","","120","","426.6","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Barium antimony nickel iron(III) oxide (2/2/3/8/22)","","- Ba2 Fe8 Ni3 O22 Sb2 -","- Ba2 Fe8 Ni3.01 O22 Sb1.99 -","- Ba2 Fe8 Ni3.01 O22 Sb1.99 -","1","0.0833333","","Fuchs, G; Nguyen, N; Greneche, J M; Groult, D; Raveau, B","Antiferromagnetic 6L-Hexagonal ferrites, Ba2 Sb2 M3 Fe8 O22 (M = Zn, Mg, Ni, Co)","Journal of Solid State Chemistry","1986","61","","223","229","10.1016/0022-4596(86)90025-3","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008319","9.158","0.002","12.144","0.003","6.729","0.001","90","","90","","90","","748.4","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Barium potassium vanadium sulfide (1.14/.72/1/4)","","- Ba1.14 K0.72 S4 V -","- Ba1.14 K0.72 S4 V -","- Ba4.56 K2.88 S16 V4 -","4","1","","Vincent, H; Anne, M; Chang, A; Marcus, J","Synthese et structure cristalline de Ba~1.14~ K~.72~ V S~4~","Journal of Solid State Chemistry","1986","61","","332","337","10.1016/0022-4596(86)90039-3","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1529920","14.143","","9.948","","6.463","","106.45","","95.82","","97.29","","855.977","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- K3 Nb7 O19 -","- K3 Nb7 O19 -","- K6 Nb14 O38 -","2","1","","Fallon, G.D.; Gatehouse, B.M.; Guddat, L.W.","Crystal structures of some niobium and tantalum oxides IX. K3 Nb7 O19: A new potassium niobium oxide tunnel structure","Journal of Solid State Chemistry","1986","61","","181","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530002","4.927","","4.927","","10.918","","90","","90","","120","","229.53","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Al P O4","","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Goiffon, A.; Maurin, M.; Jumas, J.C.; Philippot, E.","Etude comparee a diverses temperatures (173, 293 et 373 K) des structures de type quartz alpha des phases M(III) X(V) O4 (M(III) = Al, Ga et X(V) = P, As)","Journal of Solid State Chemistry","1986","61","","384","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530095","12.537","","15.474","","12.534","","90","","90","","90","","2431.56","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ga2 (Ga2 Br6)","","- Br6 Ga4 -","- Br6 Ga3.98 -","- Br48 Ga31.84 -","8","1","","Hoenle, W.; Simon, A.; Gerlach, G.; Weppner, W.","Preparation, Crystal Structure, and ionic conductivity of Digallium tribromide, Ga2 Br3","Journal of Solid State Chemistry","1986","61","","171","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","155067","2020-10-21","18:00:00",""
"1530249","5.521","","5.521","","5.521","","90","","90","","90","","168.288","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ca.925 Th.075 F2.15","","- Ca0.925 F2.096 Th0.075 -","- Ca0.925 F2.096 Th0.075 -","- Ca3.7 F8.384 Th0.3 -","4","0.0208333","","Laval, J.P.; Mikou, A.; Frit, B.; Pannetier, J.","Neutron diffraction study of the anion-excess fluoriterelated Ca1-x Thx F2+2x solid solution","Journal of Solid State Chemistry","1986","61","","359","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","155317","2020-10-21","18:00:00",""
"1530250","5.538","","5.538","","5.538","","90","","90","","90","","169.847","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ca.9 Th.1 F2.2","","- Ca0.9 F2.2 Th0.1 -","- Ca0.9 F2.224 Th0.1 -","- Ca3.6 F8.896 Th0.4 -","4","0.0208333","","Laval, J.P.; Mikou, A.; Frit, B.; Pannetier, J.","Neutron diffraction study of the anion-excess fluoriterelated Ca1-x Thx F2+2x solid solution","Journal of Solid State Chemistry","1986","61","","359","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","155318","2020-10-21","18:00:00",""
"1530251","5.555","","5.555","","5.555","","90","","90","","90","","171.416","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ca.875 Th.125 F2.25","","- Ca0.875 F2.25 Th0.125 -","- Ca0.875 F2.228 Th0.125 -","- Ca3.5 F8.912 Th0.5 -","4","0.0208333","","Laval, J.P.; Mikou, A.; Frit, B.; Pannetier, J.","Neutron diffraction study of the anion-excess fluoriterelated Ca1-x Thx F2+2x solid solution","Journal of Solid State Chemistry","1986","61","","359","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","155319","2020-10-21","18:00:00",""
"1530252","5.574","","5.574","","5.574","","90","","90","","90","","173.181","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ca.85 Th.15 F2.3","","- Ca0.85 F2.3 Th0.15 -","- Ca0.85 F2.288 Th0.15 -","- Ca3.4 F9.152 Th0.6 -","4","0.0208333","","Laval, J.P.; Mikou, A.; Frit, B.; Pannetier, J.","Neutron diffraction study of the anion-excess fluoriterelated Ca1-x Thx F2+2x solid solution","Journal of Solid State Chemistry","1986","61","","359","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","155320","2020-10-21","18:00:00",""
"1530253","5.594","","5.594","","5.594","","90","","90","","90","","175.052","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ca.82 Th.18 F2.36","","- Ca0.82 F2.36 Th0.18 -","- Ca0.82 F2.336 Th0.18 -","- Ca3.28 F9.344 Th0.72 -","4","0.0208333","","Laval, J.P.; Frit, B.; Mikou, A.; Pannetier, J.","Neutron diffraction study of the anion-excess fluoriterelated Ca1-x Thx F2+2x solid solution","Journal of Solid State Chemistry","1986","61","","359","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","155321","2020-10-21","18:00:00",""
"1530386","19.37","","13.026","","13.598","","90","","90.062","","90","","3430.96","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Nb6 Br6 Se20","","- Br6 Nb6 Se20 -","- Br6 Nb6 Se20 -","- Br24 Nb24 Se80 -","4","1","","Meerschaut, A.; Grenouilleau, P.; Rouxel, J.","Nb6 Se20 Br6 a pseudo one-dimensional compound with a waved chain structure","Journal of Solid State Chemistry","1986","61","","90","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","155473","2020-10-21","18:00:00",""
"1530437","6.9041","","9.0882","","5.1134","","90","","90","","90","","320.845","","","","","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Na Mn (P O4)","","- Mn Na O4 P -","- Mn Na O4 P -","- Mn4 Na4 O16 P4 -","4","0.5","","Moring, J.; Kostiner, E.","The crystal structure of Na Mn P O4","Journal of Solid State Chemistry","1986","61","","379","383","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530874","5.3416","","5.3416","","5.3416","","60.99","","60.99","","60.99","","110.174","","","","","","","","","","","","","3","R -3 c :R","-P 3* 2n","167","","La Co O3","","- Co La O3 -","- Co La O3 -","- Co2 La2 O6 -","2","0.166667","","Thornton, G.; Tofield, B.C.; Hewat, A.W.","A neutron diffraction study of La Co O3 in the temperature range 4.2 < T < 1248 K","Journal of Solid State Chemistry","1986","61","","301","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9013447","9.759","","9.759","","7.291","","90","","90","","120","","601.351","","","","","","","","","","","","Synthetic","5","P 63/m","-P 6c","176","","","Fluorphosphohedyphane","- Ca2.24 F O12 P3 Pb2.76 -","- Ca2.24 F O12 P3 Pb2.76 -","- Ca4.48 F2 O24 P6 Pb5.52 -","2","0.166667","","Miyake, M.; Ishigaki, K.; Suzuki, T.","Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting Note: Sample FAp Locality: synthetic Note: apatite group","Journal of Solid State Chemistry","1986","61","","230","235","10.1016/0022-4596(86)90026-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013448","9.99","","9.99","","7.276","","90","","90","","120","","628.86","","","","","","","","","","","","Synthetic","5","P 63/m","-P 6c","176","","","Pyromorphite","- Ca1.04 Cl O12 P3 Pb3.96 -","- Ca1.04 Cl O12 P3 Pb3.96 -","- Ca2.08 Cl2 O24 P6 Pb7.92 -","2","0.166667","","Miyake, M.; Ishigaki, K.; Suzuki, T.","Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting Note: Sample ClAp Locality: synthetic Note: apatite group","Journal of Solid State Chemistry","1986","61","","230","235","10.1016/0022-4596(86)90026-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013449","9.88","","9.88","","7.417","","90","","90","","120","","627.008","","","","","","","","","","","","Synthetic","5","P 63/m","-P 6c","176","","","Pyromorphite","- Ca1.31 H O13 P3 Pb3.69 -","- Ca1.31 H O13 P3 Pb3.69 -","- Ca2.62 H2 O26 P6 Pb7.38 -","2","0.166667","","Miyake, M.; Ishigaki, K.; Suzuki, T.","Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting Note: Sample OHAp Locality: synthetic Note: apatite group","Journal of Solid State Chemistry","1986","61","","230","235","10.1016/0022-4596(86)90026-5","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""