# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T17:54:11+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 = 111 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
"1000359","12.993","0.003","6.468","0.001","10.64","0.003","90","","90","","90","","894.2","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Ammonium iron(III) phosphate fluoride","","- F Fe H4 N O4 P -","- F Fe H8 N O4 P -","- F8 Fe8 H64 N8 O32 P8 -","8","2","","Loiseau, Th; Calage, Y; Lacorre, P; Ferey, G","NH~4~FePO~4~F: structural study and magnetic properties","Journal of Solid State Chemistry","1994","111","","390","396","10.1006/jssc.1994.1244","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001601","3.8935","0.0002","3.8935","0.0002","19.08499","0.002","90","","90","","90","","289.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Europium barium cobalt copper oxide (2.5/2.5/2/3/12)","","- Ba2.5 Co2 Cu3 Eu2.5 O12 -","- Ba2.5 Co2.001 Cu2.999 Eu2.5 O12 -","- Ba2.5 Co2.001 Cu2.999 Eu2.5 O12 -","1","0.0625","","Barbey, L; Domenges, B; Nguyen, N; Raveau, B","Eu~2.5~Ba~2.5~Co~2~Cu~3~O~12~, an intergrowth of the ""112"" and ""123"" structures","Journal of Solid State Chemistry","1994","111","","238","246","10.1006/jssc.1994.1223","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001602","10.819","0.001","19.515","0.003","9.609","0.001","90","","97.74","0.01","90","","2010.3","","","","","","","","","","","","","3","I 1 a 1","I -2ya","9","","Molybdenum(III) catena-phosphate","","- Mo O9 P3 -","- Mo O9 P3 -","- Mo12 O108 P36 -","12","3","","Watson, I M; Borel, M M; Chardon, J; Leclaire, A","Structure of the trivalent molybdenum metaphosphate Mo(PO~3~)~3~","Journal of Solid State Chemistry","1994","111","","253","256","10.1006/jssc.1994.1225","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001603","10.084","0.001","21.297","0.003","17.491","0.001","90","","90","","90","","3756.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Hexacaesium tecto-pentamolybdo(V)dimolybdo(IV)heptaphosphate hydrate","","- Cs6 H2 Mo7 O38 P7 -","- Cs6 H3 Mo7 O38 P7 -","- Cs24 H12 Mo28 O152 P28 -","4","0.5","","Guesdon, A; Borel, M M; Leclaire, A; Grandin, A; Raveau, B","A mixed-valent molybdenum monophosphate with a ""butterfly""-shaped tunnel structure Cs~6~Mo~7~O~9~(PO~4~)~7~ . H~2~O","Journal of Solid State Chemistry","1994","111","","315","321","10.1006/jssc.1994.1233","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001604","4.712","0.001","10.791","0.001","5.62","0.001","90","","97.34","0.01","90","","283.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicadmium phosphovanadate","","- Cd2 O7 P V -","- Cd2 O7 P V -","- Cd4 O14 P2 V2 -","2","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B","The diphosphovanadate Cd~2~VPO~7~: a mixed framework with pseudo-close- packed octahedral layers connected through ditetrahedral VPO~7~ groups","Journal of Solid State Chemistry","1994","111","","365","369","10.1006/jssc.1994.1240","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001605","14.308","0.002","6.318","0.001","7.248","0.001","90","","90","","90","","655.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cadmium tecto-divanadatodiphosphate","","- Cd O9 P2 V2 -","- Cd O9 P2 V2 -","- Cd4 O36 P8 V8 -","4","0.5","","Boudin, S; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","A vanadium(III) monophosphate built up from rutile chains: CdV~2~O(PO~4~)~2~","Journal of Solid State Chemistry","1994","111","","380","384","10.1006/jssc.1994.1242","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001623","12.989","0.002","12.989","0.002","53.91199","0.006","90","","90","","120","","7877.1","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Trirubidium tecto-diphosphatopentaniobate","","- Nb5 O19 P2 Rb3 -","- Nb5 O19 P2 Rb3 -","- Nb90 O342 P36 Rb54 -","18","0.5","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A phosphoniobate with an intersecting tunnel structure related to pyrochlore: Rb~3~Nb~5~P~2~O/1~9~","Journal of Solid State Chemistry","1994","111","","26","32","10.1006/jssc.1994.1194","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006065","5.9062","0.0003","5.9062","0.0003","23.342","0.003","90","","90","","120","","705.2","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Barium iron cobalt titanium oxide (1/3.8/4.1/4.1/19)","","- Ba Co4.1 Fe3.84 O19 Ti4.06 -","- Ba Co4.1 Fe3.84 O19 Ti4.06 -","- Ba2 Co8.2 Fe7.68 O38 Ti8.12 -","2","0.0833333","","Cabanas, M V; Gonzalez-Calbet, J M; Rodriguez-Carvajal, J; Vallet-Regi, M","The solid solution BaFe~12-2x~Co~x~Ti~x~O~19~ (0<x<6): cationic distribution by neutron diffraction","Journal of Solid State Chemistry","1994","111","","229","237","10.1006/jssc.1994.1222","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006066","5.9174","0.0008","5.9174","0.0008","23.368","0.006","90","","90","","120","","708.6","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium cobalt titanium oxide (1/6/6/19)","","- Ba Co6.01 O19 Ti5.99 -","- Ba Co6.01 O19 Ti5.99 -","- Ba2 Co12.02 O38 Ti11.98 -","2","0.0833333","","Cabanas, M V; Gonzalez-Calbet, J M; Rodriguez-Carvajal, J; Vallet-Regi, M","The solid solution BaFe~12-2x~Co~x~Ti~x~O~19~ (0<x<6): cationic distribution by neutron diffraction","Journal of Solid State Chemistry","1994","111","","229","237","10.1006/jssc.1994.1222","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1511076","9.209","","12.121","","2.9877","","90","","90","","90","","333.494","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Ni2 Cr O2 (B O3)","","- B Cr Ni2 O5 -","- B Cr0.995 Ni2.005 O5 -","- B4 Cr3.98 Ni8.02 O20 -","4","0.5","","Nielsen, K.; Norrestam, R.; Kritikos, M.; Sotofte, I.; Thorup, N.","Structural characterization of two synthetic Ni-ludwigites, and some semiempirical EHTB calculations on the ludwigite structure type","Journal of Solid State Chemistry","1994","111","","217","223","10.1006/jssc.1994.1220","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1534724","3.851","","3.869","","50.29","","90","","90","","90","","749.297","","","","","","","","","","","","","4","A m m m","-A 2 2","65","","Y2 Ba4 Cu6.77 O14.26","","- Ba4 Cu6.77 O14.26 Y2 -","- Ba4 Cu6.77 O14.26 Y2 -","- Ba8 Cu13.54 O28.52 Y4 -","2","0.125","","Schwer, H.; Kaldis, E.; Karpinski, J.; Rossel, C.","The effect of Ca doping on the structures of YBa2Cu4O8 and Y2Ba4Cu7O14+x single crystals","Journal of Solid State Chemistry","1994","111","","96","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","208239","2020-10-21","18:00:00",""
"1534728","3.8584","","3.8776","","50.367","","90","","90","","90","","753.557","","","","","","","","","","","","","4","A m m m","-A 2 2","65","","Y2 Ba4 Cu6.76 O14.54","","- Ba4 Cu6.76 O14.54 Y2 -","- Ba4 Cu6.76 O14.54 Y2 -","- Ba8 Cu13.52 O29.08 Y4 -","2","0.125","","Schwer, H.; Kaldis, E.; Karpinski, J.; Rossel, C.","The effect of Ca doping on the structures of YBa2Cu4O8 and Y2Ba4Cu7O14+x single crystals","Journal of Solid State Chemistry","1994","111","","96","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","208239","2020-10-21","18:00:00",""
"1534731","3.8572","","3.8731","","50.352","","90","","90","","90","","752.225","","","","","","","","","","","","","5","A m m m","-A 2 2","65","","(Y0.971 Ca0.029)2 (Ba0.944 Ca0.056)2 Ba2 Cu6.73 O14.4","","- Ba3.888 Ca0.17 Cu6.73 O14.4 Y1.942 -","- Ba3.888 Ca0.17 Cu6.73 O14.4 Y1.942 -","- Ba7.776 Ca0.34 Cu13.46 O28.8 Y3.884 -","2","0.125","","Schwer, H.; Kaldis, E.; Karpinski, J.; Rossel, C.","The effect of Ca doping on the structures of YBa2Cu4O8 and Y2Ba4Cu7O14+x single crystals","Journal of Solid State Chemistry","1994","111","","96","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","208239","2020-10-21","18:00:00",""
"1534734","3.8592","","3.8799","","50.495","","90","","90","","90","","756.077","","","","","","","","","","","","","4","A m m m","-A 2 2","65","","Y2 Ba4 Cu6.83 O14.6","","- Ba4 Cu6.83 O14.6 Y2 -","- Ba4 Cu6.833 O14.602 Y2 -","- Ba8 Cu13.666 O29.204 Y4 -","2","0.125","","Schwer, H.; Kaldis, E.; Karpinski, J.; Rossel, C.","The effect of Ca doping on the structures of YBa2Cu4O8 and Y2Ba4Cu7O14+x single crystals","Journal of Solid State Chemistry","1994","111","","96","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","208239","2020-10-21","18:00:00",""
"1534737","3.8593","","3.8796","","50.478","","90","","90","","90","","755.784","","","","","","","","","","","","","4","A m m m","-A 2 2","65","","Y2 Ba4 Cu6.72 O14.63","","- Ba4 Cu6.72 O14.63 Y2 -","- Ba4 Cu6.72 O14.63 Y2 -","- Ba8 Cu13.44 O29.26 Y4 -","2","0.125","","Schwer, H.; Kaldis, E.; Karpinski, J.; Rossel, C.","The effect of Ca doping on the structures of YBa2Cu4O8 and Y2Ba4Cu7O14+x single crystals","Journal of Solid State Chemistry","1994","111","","96","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","208239","2020-10-21","18:00:00",""
"1534741","3.8347","","3.8836","","50.679","","90","","90","","90","","754.734","","","","","","","","","","","","","4","A m m m","-A 2 2","65","","Y2 Ba4 Cu6.98 O14.8","","- Ba4 Cu6.98 O14.8 Y2 -","- Ba4 Cu6.981 O14.804 Y2 -","- Ba8 Cu13.962 O29.608 Y4 -","2","0.125","","Schwer, H.; Kaldis, E.; Rossel, C.; Karpinski, J.","The effect of Ca doping on the structures of YBa2Cu4O8 and Y2Ba4Cu7O14+x single crystals","Journal of Solid State Chemistry","1994","111","","96","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","208239","2020-10-21","18:00:00",""
"1534744","3.8642","","3.8717","","50.471","","90","","90","","90","","755.098","","","","","","","","","","","","","4","A m m m","-A 2 2","65","","Y2 Ba4 Cu6.74 O14.6","","- Ba4 Cu6.74 O14.6 Y2 -","- Ba4 Cu6.74 O14.6 Y2 -","- Ba8 Cu13.48 O29.2 Y4 -","2","0.125","","Schwer, H.; Kaldis, E.; Karpinski, J.; Rossel, C.","The effect of Ca doping on the structures of YBa2Cu4O8 and Y2Ba4Cu7O14+x single crystals","Journal of Solid State Chemistry","1994","111","","96","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","208239","2020-10-21","18:00:00",""
"1534748","3.8501","","3.8626","","50.181","","90","","90","","90","","746.262","","","","","","","","","","","","","5","A m m m","-A 2 2","65","","(Y0.942 Ca0.058)2 (Ba0.935 Ca0.065)2 Ba2 Cu6.73 O14.63","","- Ba3.87 Ca0.246 Cu6.73 O14.63 Y1.884 -","- Ba3.87 Ca0.246 Cu6.73 O14.63 Y1.884 -","- Ba7.74 Ca0.492 Cu13.46 O29.26 Y3.768 -","2","0.125","","Schwer, H.; Rossel, C.; Karpinski, J.; Kaldis, E.","The effect of Ca doping on the structures of YBa2Cu4O8 and Y2Ba4Cu7O14+x single crystals","Journal of Solid State Chemistry","1994","111","","96","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","208239","2020-10-21","18:00:00",""
"1540317","7.662","","18.829","","5.66","","90","","90","","90","","816.556","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Cu2 K (Ta Se4)","","- Cu2 K Se4 Ta -","- Cu2 K Se4 Ta -","- Cu8 K4 Se16 Ta4 -","4","0.5","","Lu Yingjie; Ibers, J.A.","Synthesis and characterization of Cu3 Nb Se4 and K Cu2 Ta Se4. Errata","Journal of Solid State Chemistry","1994","111","","447","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541225","10.909","","3.5013","","12.7736","","90","","90","","90","","487.896","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Cr3 Gd S6)2.666","","- Cr7.998 Gd2.666 S15.996 -","- Cr8 Gd2.72 S16 -","- Cr8 Gd2.72 S16 -","1","0.125","","Meerschaut, A.; Lafond, A.; Hoistad, L.M.; Rouxel, J.","Structure determination and magnetic susceptibility of Gd2/3 Cr2 S4","Journal of Solid State Chemistry","1994","111","","276","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","172505","2020-10-21","18:00:00",""
"1545653","22.5655","0.0003","10.9863","0.0002","9.7189","0.0001","90","","98.569","0.002","90","","2382.53","0.06","","","293","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Al15 La3 O37 Ti5 -","- Al15 La3 O37 Ti5 -","- Al60 La12 O148 Ti20 -","4","1","","Russell E. Morris; Jonathan J. Owen; Judith K. Stalick; Anthony K. Cheetham","Determination of Complex Structures from Powder Diffraction Data: The Crystal Structure of La3Ti5Al15O37","Journal of Solid State Chemistry","1994","111","","52","57","10.1006/jssc.1994.1198","powder diffraction","x-ray","1","synchrotron","","","","","","","","0.0669","","","","","","","","","has coordinates","194539","2020-10-21","18:00:00",""
"2000009","10.154","0.001","18.393","0.002","15.773","0.002","90","","90","","90","","2945.8","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C3 H14 F2 Ga3 N2 O13 P3 -","- C3 H14 F2 Ga3 N2 O13 P3 -","- C24 H112 F16 Ga24 N16 O104 P24 -","8","1","","Loiseau, Thierry; Retoux, Richard; Lacorre, Philippe; Férey, Gérard","Oxyfluorinated Microporous Compounds","Journal of Solid State Chemistry","1994","111","","427","436","10.1006/jssc.1994.1249","","","","","","","0.024","","","0.024","","","","","","","","","","","has coordinates","199798","2020-10-21","18:00:00",""
"2000103","18.808","0.008","9.631","0.002","14.019","0.008","90","","109.63","0.05","90","","2391.81","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H34 Cu2 N6 O17 P4 -","- C8 H46 Cu2 N8 O17 P4 -","- C32 H184 Cu8 N32 O68 P16 -","4","0.5","","Gharbi, A.; Jouini, A.; Averbuch-Pouchot, M. T.; Durif, A.","Ethylenediammonium bis[Copper(II) Monohydrogendiphosphate Ethylenediamine] Trihydrate","Journal of Solid State Chemistry","1994","111","2","330","337","10.1006/jssc.1994.1235","","","","","","","0.036","","","0.036","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"9016436","10.084","","21.297","","17.491","","90","","90","","90","","3756.35","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs6 Mo7 O38 P7 -","- Cs6 Mo7 O38 P7 -","- Cs24 Mo28 O152 P28 -","4","0.5","","Guesdon, A.; Borel, M.; Leclaire, A.; Grandin, A.; Raveau, B.","A mixed-valent molybdenum monophosphate with a ""butterfly""-shaped tunnel structure Cs6Mo7O9(PO4)7*H2O _cod_database_code 1001603","Journal of Solid State Chemistry","1994","111","","315","321","10.1006/jssc.1994.1233","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""