# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T22:48:13+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 = 19 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
"1001027","9.153","0.004","9.153","0.004","12.066","0.008","90","","90","","120","","875.4","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Potassium niobium oxide (3/8/21)","","- K3 Nb8 O21 -","- K3 Nb8 O21 -","- K6 Nb16 O42 -","2","0.0833333","","Groult, D; Chailleux, J M; Choisnet, J; Raveau, B","Sur une nouvelle famille d'oxydes ternaires de niobium, A~3~ M~8~ O~21~ a structure en cages","Journal of Solid State Chemistry","1976","19","","235","244","10.1016/0022-4596(76)90173-0","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001028","9.107","0.004","9.107","0.004","12.011","0.008","90","","90","","120","","862.7","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","Tripotassium heptaniobium titanium oxide","","- K3 Nb7 O21 Ti -","- K3 Nb7 O21 Ti -","- K6 Nb14 O42 Ti2 -","2","0.0833333","","Groult, D; Chailleux, J M; Choisnet, J; Raveau, B","Sur une nouvelle famille d'oxydes ternaires de niobium, A~3~ M~8~ O~21~ a structure en cages","Journal of Solid State Chemistry","1976","19","","235","244","10.1016/0022-4596(76)90173-0","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001029","9.04","0.004","9.04","0.004","11.767","0.008","90","","90","","120","","832.8","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","Tribarium tetraniobium tetratitanium oxide","","- Ba3 Nb4 O21 Ti4 -","- Ba3 Nb4 O21 Ti4 -","- Ba6 Nb8 O42 Ti8 -","2","0.0833333","","Groult, D; Chailleux, J M; Choisnet, J; Raveau, B","Sur une nouvelle famille d'oxydes ternaires de niobium, A~3~ M~8~ O~21~ a structure en cages","Journal of Solid State Chemistry","1976","19","","235","244","10.1016/0022-4596(76)90173-0","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008192","7.359","0.001","7.359","0.001","7.359","0.001","90","","90","","90","","398.5","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Thorium tricopper dimanganese(III) dimanganese(IV) oxide","","- Cu3 Mn4 O12 Th -","- Cu3 Mn4 O12 Th -","- Cu6 Mn8 O24 Th2 -","2","0.0416667","","Deschizeaux, M N; Loubert, J C; Vegas, A; Collomb, A; Chenavas, J; Marezio, M","Synthetis and crystal structure of (Th Cu~3~) ((Mn~2~)^3+^ (Mn~2~)^4+^) O~12~, a new ferrimagnetic Perovskite-like compound","Journal of Solid State Chemistry","1976","19","","45","51","10.1016/0022-4596(76)90148-1","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1527292","5.958","","5.958","","12.39","","90","","90","","120","","380.893","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","K2 Pb O3","","- K2 O3 Pb -","- K2 O3 Pb -","- K8 O12 Pb4 -","4","0.166667","","Delmas, C.; Demazeau, G.; Devalette, M.; Hagenmuller, P.; Fouassier, C.","Evolution structurale sous haute pression des phases K2 M O3 (M= Zr, Hf, Sn, Pb)","Journal of Solid State Chemistry","1976","19","","87","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531245","5.9","","5.9","","14.57","","90","","90","","120","","439.232","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba Ca.3333 Ru.6667 O3","","- Ba Ca0.3333 O3 Ru0.6667 -","- Ba Ca0.333333 O3 Ru0.666667 -","- Ba6 Ca2 O18 Ru4 -","6","0.25","","Darriet, J.; Drillon, M.; Villeneuve, G.; Hagenmuller, P.","Interactions magnetiques dans des groupements binucleaires du ruthenium +V","Journal of Solid State Chemistry","1976","19","","213","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531291","5.56","","5.56","","22.001","","90","","90","","120","","589.01","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","La1.4 Al22.6 O36","","- Al22.6 La1.4 O36 -","- Al22.64 La1.4 O36.04 -","- Al22.64 La1.4 O36.04 -","1","0.0416667","","Dexpert-Ghys, J.; Faucher, M.; Caro, P.","Optical and structural investigation of the lanthanum beta-alumina phase doped with europium","Journal of Solid State Chemistry","1976","19","","193","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","156685","2020-10-21","18:00:00",""
"1532107","9.088","","9.088","","8.5443","","90","","90","","120","","611.144","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ti3 Sc4 O12","","- O12 Sc4 Ti3 -","- O12 Sc3.9996 Ti2.9998 -","- O36 Sc11.9988 Ti8.9994 -","3","0.166667","","Rossell, H.J.","Crystal structures of some fluorite-related M7 O12 compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157747","2020-10-21","18:00:00",""
"1532108","9.259","","9.259","","8.7083","","90","","90","","120","","646.535","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Nb1.498 Sc5.502 O12.000","","- Nb1.498 O12 Sc5.502 -","- Nb1.498 O12 Sc5.502 -","- Nb4.494 O36 Sc16.506 -","3","0.166667","","Rossell, H.J.","Crystal structures of some fluorite-related M7 O12 compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157748","2020-10-21","18:00:00",""
"1532109","9.2746","","9.2746","","8.7224","","90","","90","","120","","649.766","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Nb Sc6 O11 F","","- F Nb O11 Sc6 -","- F0.9996 Nb O11.0004 Sc6 -","- F2.9988 Nb3 O33.0012 Sc18 -","3","0.166667","","Rossell, H.J.","Crystal structures of some fluorite-related M7 O12 compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532110","9.2964","","9.2964","","8.7185","","90","","90","","120","","652.532","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Nb Sc5 Hf O12","","- Hf Nb O12 Sc5 -","- Hf0.9996 Nb O12 Sc4.998 -","- Hf2.9988 Nb3 O36 Sc14.994 -","3","0.166667","","Rossell, H.J.","Crystal structures of some fluorite-related M7 O12 compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532111","9.371","","9.371","","8.706","","90","","90","","120","","662.096","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Hf3 Sc4 O12","","- Hf3 O12 Sc4 -","- Hf3.03 O12 Sc3.97 -","- Hf9.09 O36 Sc11.91 -","3","0.166667","","Rossell, H.J.","Crystal Structures of Some Fluorite-Related M7 O12 Compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157751","2020-10-21","18:00:00",""
"1532112","9.657","","9.657","","9.0235","","90","","90","","120","","728.769","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr3 Yb4 O12","","- O12 Yb4 Zr3 -","- O12 Yb4.0002 Zr2.9998 -","- O36 Yb12.0006 Zr8.9994 -","3","0.166667","","Rossell, H.J.","Crystal Structures of Some Fluorite-Related M7 O12 Compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157752","2020-10-21","18:00:00",""
"1532113","9.7102","","9.7102","","9.0804","","90","","90","","120","","741.467","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr3 Er4 O12","","- Er4 O12 Zr3 -","- Er4.0002 O12 Zr2.9998 -","- Er12.0006 O36 Zr8.9994 -","3","0.166667","","Rossell, H.J.","Crystal Structures of Some Fluorite-Related M7 O12 Compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157753","2020-10-21","18:00:00",""
"9012128","4.873","","4.332","","2.963","","90","","90","","90","","62.548","","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","","","Guyanaite (deuterated)","- Cr D O2 -","- Cr D O2 -","- Cr2 D2 O4 -","2","0.5","","Christensen, N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of beta-CrOOH and beta-CrOOD Locality: synthetic","Journal of Solid State Chemistry","1976","19","","299","304","10.1016/0022-4596(76)90180-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012129","4.862","","4.298","","2.995","","90","","90","","90","","62.586","","","","","","","","","","","","Synthetic","3","P 21 n m","P -2 2ac","31","","","Guyanaite","- Cr H O2 -","- Cr H O2 -","- Cr2 H2 O4 -","2","0.5","","Christensen, N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of beta-CrOOH and beta-CrOOD","Journal of Solid State Chemistry","1976","19","","299","304","10.1016/0022-4596(76)90180-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012130","4.873","","4.332","","2.963","","90","","90","","90","","62.548","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","Guyanaite (deuterated)","- Cr D O2 -","- Cr D O2 -","- Cr2 D2 O4 -","2","0.25","","Christensen, N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of beta-CrOOH and beta-CrOOD Locality: synthetic","Journal of Solid State Chemistry","1976","19","","299","304","10.1016/0022-4596(76)90180-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012131","4.862","","4.298","","2.995","","90","","90","","90","","62.586","","","","","","","","","","","","Synthetic","3","P n n m","-P 2 2n","58","","","Guyanaite","- Cr H O2 -","- Cr H O2 -","- Cr2 H2 O4 -","2","0.25","","Christensen, N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of beta-CrOOH and beta-CrOOD","Journal of Solid State Chemistry","1976","19","","299","304","10.1016/0022-4596(76)90180-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""