# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-04T04:23:04+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 Solid State Chemistry') AND volume = 53 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
"1000193","7.609","0.005","7.514","0.006","7.453","0.004","90","","118.21","0.03","90","","375.5","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Iron fluoroferrate dihydrate","","- F8 Fe3 H4 O2 -","- F8 Fe3 H4 O2 -","- F16 Fe6 H8 O4 -","2","0.25","","Leblanc, M; Ferey, G; Calage, Y; De Pape, R","Idle spin behavior of the shifted hexagonal tungsten bronze type compounds Fe Fe~2~ F~8~ (H~2~ O)~2~ and Mn Fe~2~ F~8~ (H~2~ O)~2~","Journal of Solid State Chemistry","1984","53","","360","368","10.1016/0022-4596(84)90113-0","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:47",""
"1000194","5.332","0.002","11.13","0.04","5.455","0.002","90","","90","","90","","323.7","","","","","","","","","","","","","3","P m 2 a","P -2a -2a","28","","Calcium ferrate manganate","","- Ca3 Mn3 O8.02 -","- Ca3 Mn3 O8 -","- Ca6 Mn6 O16 -","2","0.5","","Nguyen, N; Calage, Y; Varret, F; Ferey, G; Caignaert, V; Hervieu, M; Raveau, B","The oxygen defect Perovskite Ca~3~ Mn~1.35~ Fe~1.65~ O~8.02~: a highly frustrated antiferromagnet","Journal of Solid State Chemistry","1984","53","","398","405","10.1016/0022-4596(84)90118-X","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001197","8.862","0.008","10.187","0.01","7.638","0.006","90","","90","","90","","689.5","","","","","","","","","","","","","4","P n c 2","P 2 -2bc","30","","Potassium copper tantalate","","- Cu K O9 Ta3 -","- Cu K O9 Ta3 -","- Cu4 K4 O36 Ta12 -","4","1","","Groult, D; Hervieu, M; Raveau, B","A Pentagonal Tunnel Structure with Copper in Square Planar Coordination: The Oxides K Cu Nb~3~ O~9~ and K Cu Ta~3~ O~9~","Journal of Solid State Chemistry","1984","53","","184","192","10.1016/0022-4596(84)90093-8","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001270","20.351","0.003","3.801","0.002","11.882","0.002","90","","120.19","0.01","90","","794.5","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Titanium diniobium oxide","","- Nb2 O7 Ti -","- Nb2.0001 O7 Ti0.9999 -","- Nb12.0006 O42 Ti5.9994 -","6","0.75","","Gasperin, M","Affinement de la structure de Ti Nb~2~ O~7~ et repartition des cations","Journal of Solid State Chemistry","1984","53","","144","147","10.1016/0022-4596(84)90238-X","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008237","7.54","0.003","13.06","0.02","7.75","0.003","90","","90","","90","","763.2","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Potassium niobium fluoride (0.3/1/3)","","- F3 K0.3 Nb -","- F3 K0.3 Nb -","- F36 K3.6 Nb12 -","12","1.5","","Masse, R; Aleonard, S; Averbuch-Pouchot, M T","Chemical Preparation and X-ray Structure Determination of K~0.3~ Nb F","Journal of Solid State Chemistry","1984","53","","136","139","10.1016/0022-4596(84)90236-6","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1524932","9.708","","9.708","","9.708","","90","","90","","90","","914.933","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ce3 Rh4 Sn13 -","- Ce3 Rh4 Sn13 -","- Ce6 Rh8 Sn26 -","2","0.0416667","","Miraglia, S.; Hodeau, J.L.; Marezio, M.; Laviron, C.; Ghedira, M.; Espinosa, G.P.","Nature of the structural distortion and of the chemical bonding in Sn M3 Rh4 Sn12 (M= La - Gd, Yb, Ca, Sr and Th)","Journal of Solid State Chemistry","1986","53","","358","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524933","9.745","","9.745","","9.745","","90","","90","","90","","925.434","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- La3 Rh4 Sn13 -","- La3 Rh4 Sn13 -","- La6 Rh8 Sn26 -","2","0.0416667","","Miraglia, S.; Marezio, M.; Hodeau, J.L.; Ghedira, M.; Laviron, C.; Espinosa, G.P.","Nature of the structural distortion and of the chemical bonding in Sn M3 Rh4 Sn12 (M= La - Gd, Yb, Ca, Sr and Th)","Journal of Solid State Chemistry","1986","53","","358","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524934","9.698","","9.698","","9.698","","90","","90","","90","","912.109","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Pr3 Rh4 Sn13 -","- Pr3 Rh4 Sn13 -","- Pr6 Rh8 Sn26 -","2","0.0416667","","Miraglia, S.; Hodeau, J.L.; Marezio, M.; Espinosa, G.P.; Laviron, C.; Ghedira, M.","Nature of the structural distortion and of the chemical bonding in Sn M3 Rh4 Sn12 (M= La-Gd, Yb, Ca, Sr and Th)","Journal of Solid State Chemistry","1986","53","","358","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524935","9.675","","9.675","","9.675","","90","","90","","90","","905.634","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Nd3 Rh4 Sn13 -","- Nd3 Rh4 Sn13 -","- Nd6 Rh8 Sn26 -","2","0.0416667","","Miraglia, S.; Hodeau, J.L.; Espinosa, G.P.; Marezio, M.; Laviron, C.; Ghedira, M.","Nature of the structural distortion and of the chemical bonding in Sn M3 Rh4 Sn12 (M= La - Gd, Yb, Ca, Sr and Th)","Journal of Solid State Chemistry","1986","53","","358","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524936","9.656","","9.656","","9.656","","90","","90","","90","","900.309","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Sm3 Rh4 Sn13","","- Rh4 Sm3 Sn13 -","- Rh4 Sm3 Sn13 -","- Rh8 Sm6 Sn26 -","2","0.0416667","","Miraglia, S.; Hodeau, J.L.; Marezio, M.; Espinosa, G.P.; Laviron, C.; Ghedira, M.","Nature of the structural distortion and of the chemical bonding in Sn M3 Rh4 Sn12 (M= La - Gd, Yb, Ca, Sr and Th)","Journal of Solid State Chemistry","1986","53","","358","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","145806","2020-10-21","18:00:00",""
"1524937","9.692","","9.692","","9.692","","90","","90","","90","","910.417","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Th3 Rh4 Sn13","","- Rh4 Sn13 Th3 -","- Rh4 Sn13 Th3 -","- Rh8 Sn26 Th6 -","2","0.0416667","","Miraglia, S.; Hodeau, J.L.; Ghedira, M.; Marezio, M.; Laviron, C.; Espinosa, G.P.","Nature of the structural distortion and of the chemical bonding in Sn M3 Rh4 Sn12 (M= La - Gd, Yb, Ca, Sr and Th)","Journal of Solid State Chemistry","1986","53","","358","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","145807","2020-10-21","18:00:00",""
"1524938","9.749","","9.749","","9.749","","90","","90","","90","","926.574","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Eu3 Rh4 Sn13 -","- Eu3 Rh4 Sn13 -","- Eu6 Rh8 Sn26 -","2","0.0416667","","Miraglia, S.; Hodeau, J.L.; Marezio, M.; Ghedira, M.; Laviron, C.; Espinosa, G.P.","Nature of the structural distortion and of the chemical bonding in Sn M3 Rh4 Sn12 (M= La - Gd, Yb, Ca, Sr and Th)","Journal of Solid State Chemistry","1986","53","","358","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524939","9.801","","9.801","","9.801","","90","","90","","90","","941.48","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Sr3 Rh4 Sn13","","- Rh4 Sn13 Sr3 -","- Rh4 Sn13 Sr3 -","- Rh8 Sn26 Sr6 -","2","0.0416667","","Miraglia, S.; Hodeau, J.L.; Marezio, M.; Laviron, C.; Espinosa, G.P.; Ghedira, M.","Nature of the structural distortion and of the chemical bonding in Sn M3 Rh4 Sn12 (M= La - Gd, Yb, Ca, Sr and Th)","Journal of Solid State Chemistry","1986","53","","358","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","145809","2020-10-21","18:00:00",""
"1534516","7.296","","7.296","","7.296","","90","","90","","90","","388.378","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Nd Cu2.68 Mn0.32 Mn1.32 Mn2.68 O12","","- Cu2.68 Mn4.32 Nd O12 -","- Cu2.67 Mn4.33 Nd O12 -","- Cu5.34 Mn8.66 Nd2 O24 -","2","0.0416667","","Samaras, D.; Bochu, B.; Joubert, J.C.","Synthesis, composition, and magnetic properties of the ferrimagnetic Nd Cu3-x Mn4+x O12 Perovskite-like phases","Journal of Solid State Chemistry","1984","53","","323","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535522","13.7374","","13.7374","","13.7374","","90","","90","","90","","2592.47","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Rb2 Zn Ge5 O12","","- Ge5 O12 Rb2 Zn -","- Ge4.98 O12 Rb2 Zn1.02 -","- Ge39.84 O96 Rb16 Zn8.16 -","8","0.166667","","Torres-Martinez, L.M.; Gard, J.A.; West, A.R.","Synthesis and structure of a new family of phases, A2 M Ge5 O12: A= Rb, Cs; M= Be, Mg, Co, Zn","Journal of Solid State Chemistry","1984","53","","354","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535594","18.984","","3.5947","","9.069","","90","","134.62","","90","","440.51","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","V1.04 Te2","","- Te2 V1.04 -","- Te2 V -","- Te12 V6 -","6","0.75","","Bronsema, K.D.; Wiegers, G.A.; Bus, G.W.","The crystal structure of vanadium ditelluride, V1+x Te2","Journal of Solid State Chemistry","1984","53","","415","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","163011","2020-10-21","18:00:00",""
"1536454","7.623","","10.479","","7.855","","90","","90","","90","","627.469","","","","","","","","","","","","","5","P m c 21","P 2c -2","26","","Cs Eu Na (Nb5 O15)","","- Cs Eu Na Nb5 O15 -","- Cs Eu Na Nb5 O15 -","- Cs2 Eu2 Na2 Nb10 O30 -","2","0.5","","Dion, M.; Ganne, M.; Tournoux, M.; Ravez, J.","Cs Eu Na Nb5 O15: Premier membre d'une nouvelle famille ferroelectrique","Journal of Solid State Chemistry","1984","53","","422","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540932","2.9875","","2.9875","","23.35","","90","","90","","120","","180.482","","","","","","","","","","","","","3","P 3 1 c","P 3 -2c","159","","Al2 Ti3 N2","","- Al2 N2 Ti3 -","- Al2 N2 Ti3 -","- Al4 N4 Ti6 -","2","0.333333","","Schuster, J.C.; Bauer, J.","The ternary system titanium-aluminum-nitrogen","Journal of Solid State Chemistry","1984","53","","260","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","172116","2020-10-21","18:00:00",""
"1542081","6.018","","5.995","","12.865","","90","","103.53","","90","","451.261","","","","","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","Li3 (Ta O4)","","- Li3 O4 Ta -","- Li3 O4 Ta -","- Li18 O24 Ta6 -","6","1.5","","Zocchi, M.; Santoro, A.; Gatti, M.; Roth, R.S.","Corrigendum","Journal of Solid State Chemistry","1984","53","","277","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1545058","7.298","0.002","7.847","0.002","9.536","0.003","90","","111.85","0.02","90","","506.9","0.3","","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Fe Na O7 P2 -","- Fe Na O7 P2 -","- Fe4 Na4 O28 P8 -","4","1","","Moya-Pizarro, Tomas; Salmon, Roger; Fournes, Leopold; Le Flem, Gilles; Wanklyn, Barbara; Hagenmuller, Paul","Etudes cristallographiques magnetique et par resonance Mossbauer de la variete de haute temperature du pyrophosphate NaFeP2O7","Journal of Solid State Chemistry","1984","53","","387","397","10.1016/0022-4596(84)90117-8","","x-ray","0.70926","MoKα","","","0.044","","","","","","","","","","","","","","has coordinates","190625","2020-10-21","18:00:00",""