# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-28T10:29:04+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 = 22 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
"1001013","7.529","0.004","7.529","0.004","8.194","0.008","90","","90","","120","","402.3","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Niobium rubidium titanium oxide (6/2/1/18)","","- Nb6 O18 Rb2 Ti -","- Nb5.999 O18 Rb2 Ti1.001 -","- Nb5.999 O18 Rb2 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001014","7.512","0.004","7.512","0.004","8.231","0.008","90","","90","","120","","402.2","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Rubidium tantalum titanium oxide (2/6/1/18)","","- O18 Rb2 Ta6 Ti -","- O18 Rb2 Ta5.999 Ti1.001 -","- O18 Rb2 Ta5.999 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001015","7.533","0.004","7.533","0.004","8.189","0.008","90","","90","","120","","402.4","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Caesium niobium titanium oxide (2/6/1/18)","","- Cs2 Nb6 O18 Ti -","- Cs2 Nb5.999 O18 Ti1.001 -","- Cs2 Nb5.999 O18 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001016","7.513","0.004","7.513","0.004","8.227","0.008","90","","90","","120","","402.2","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Caesium tantalum titanium oxide (2/6/1/18)","","- Cs2 O18 Ta6 Ti -","- Cs2 O18 Ta5.999 Ti1.001 -","- Cs2 O18 Ta5.999 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001017","7.486","0.002","7.486","0.002","43.1","0.01","90","","90","","120","","2091.7","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Rubidium niobium tungsten oxide (12/30/3/90)","","- Nb30 O90 Rb12 W3 -","- Nb29.997 O90 Rb12 W3.003 -","- Nb29.997 O90 Rb12 W3.003 -","1","0.0277778","","Michel, C; Guyomarch, A; Raveau, B","Nouveaux echangeurs cationiques avec une structure a tunnels entrecroises: les oxides A~12~ M~33~ O~90~ et A~12~ M~33~ O~90~ (H~2~ O)~12~","Journal of Solid State Chemistry","1977","22","","393","403","10.1016/0022-4596(77)90016-0","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1527272","6.045","","6.045","","8.29","","90","","90","","90","","302.933","","","","","","","","","","","","","3","P 41 2 2","P 4w 2c","91","","Li2 Te O4","","- Li2 O4 Te -","- Li2 O4 Te -","- Li8 O16 Te4 -","4","0.5","","Daniel, F.; Moret, J.; Maurin, M.; Philippot, E.","Etude structurale de Li2 Te O4. Coordination du tellure VI et du lithium par les atomes d'oxygene","Journal of Solid State Chemistry","1977","22","","113","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527273","10.632","","5.161","","13.837","","90","","103.27","","90","","738.988","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Na2 Te O4","","- Na2 O4 Te -","- Na2 O4 Te -","- Na16 O32 Te8 -","8","2","","Daniel, F.; Maurin, M.; Moret, J.; Philippot, E.","Etude structurale d'un nouveau tellurate alcalin: Na2 Te O4 . Evolution de la coordination du tellure(VI) et du cation quand on passe du cation lithium au sodium","Journal of Solid State Chemistry","1977","22","","385","391","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527361","7.527","","7.527","","43.17","","90","","90","","120","","2118.15","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Rb12.20 Nb33.56 O90","","- Nb33 O90 Rb12.0012 -","- Nb33 O90 Rb12.0012 -","- Nb33 O90 Rb12.0012 -","1","0.0277778","","Fallon, G.D.; Gatehouse, B.M.","Crystal structures of some niobium and tantalum oxides. II. The 4Rb2 O : 11Nb2 O5 phase - a tunnel structure","Journal of Solid State Chemistry","1977","22","","405","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","148885","2020-10-21","18:00:00",""
"1527408","9.06","","5.7721","","4.5203","","89.99","","91.4","","89.83","","236.318","","","","","","","","","","","","","2","P -1","-P 1","2","","V O2","","- O2 V -","- O2 V -","- O8 V4 -","4","2","","Ghedira, M.; Vincent, H.; Marezio, M.; Launay, J.C.","Structural aspects of the metal-insulator transitions in V0.985 Al0.015 O2","Journal of Solid State Chemistry","1977","22","","423","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:09",""
"1527438","8.293","","8.293","","8.293","","90","","90","","90","","570.342","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba (Fe0.6 Ho0.07 U0.33 O3)","","- Ba Fe0.6 Ho0.07 O3 U0.33 -","- Ba0.995 Fe0.595 Ho0.07 O3 U0.33 -","- Ba7.96 Fe4.76 Ho0.56 O24 U2.64 -","8","0.0416667","","Grenet, J.C.; Berthon, J.; Poix, P.","Etude structurale et magnetique de perovskites de formule Ba3 Fe2-x Hox U O9","Journal of Solid State Chemistry","1977","22","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527439","8.344","","8.344","","8.344","","90","","90","","90","","580.929","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba (Fe0.54 Ho0.13 U0.33 O3)","","- Ba Fe0.54 Ho0.13 O3 U0.33 -","- Ba1.005 Fe0.525 Ho0.13 O3 U0.33 -","- Ba8.04 Fe4.2 Ho1.04 O24 U2.64 -","8","0.0416667","","Grenet, J.C.; Berthon, J.; Poix, P.","Etude structurale et magnetique de perovskites de formule Ba3 Fe2-x Hox U O9","Journal of Solid State Chemistry","1977","22","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527440","8.395","","8.395","","8.395","","90","","90","","90","","591.646","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba (Fe0.47 Ho0.2 U0.33 O3)","","- Ba Fe0.47 Ho0.2 O3 U0.33 -","- Ba Fe0.46 Ho0.2 O3 U0.33 -","- Ba8 Fe3.68 Ho1.6 O24 U2.64 -","8","0.0416667","","Grenet, J.C.; Berthon, J.; Poix, P.","Etude structurale et magnetique de perovskites de formule Ba3 Fe2-x Hox U O9","Journal of Solid State Chemistry","1977","22","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527441","8.445","","8.445","","8.445","","90","","90","","90","","602.281","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba (Fe0.4 Ho0.27 U0.33 O3)","","- Ba Fe0.4 Ho0.27 O3 U0.33 -","- Ba0.995 Fe0.395 Ho0.27 O3 U0.33 -","- Ba7.96 Fe3.16 Ho2.16 O24 U2.64 -","8","0.0416667","","Grenet, J.C.; Poix, P.; Berthon, J.","Etude structurale et magnetique de perovskites de formule Ba3 Fe2-x Hox U O9","Journal of Solid State Chemistry","1977","22","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527442","8.49","","8.49","","8.49","","90","","90","","90","","611.96","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba (Fe0.34 Ho0.33 U0.33 O3)","","- Ba Fe0.34 Ho0.33 O3 U0.33 -","- Ba1.005 Fe0.33 Ho0.33 O3 U0.33 -","- Ba8.04 Fe2.64 Ho2.64 O24 U2.64 -","8","0.0416667","","Grenet, J.C.; Berthon, J.; Poix, P.","Etude structurale et magnetique de perovskites de formule Ba3 Fe2-x Hox U O9","Journal of Solid State Chemistry","1977","22","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527443","8.533","","8.533","","8.533","","90","","90","","90","","621.306","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba (Fe0.27 Ho0.4 U0.33 O3)","","- Ba Fe0.27 Ho0.4 O3 U0.33 -","- Ba1.005 Fe0.265 Ho0.395 O3 U0.33 -","- Ba8.04 Fe2.12 Ho3.16 O24 U2.64 -","8","0.0416667","","Grenet, J.C.; Berthon, J.; Poix, P.","Etude structurale et magnetique de perovskites de formule Ba3 Fe2-x Hox U O9","Journal of Solid State Chemistry","1977","22","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527491","5.176","","10.794","","5.68","","90","","90","","90","","317.34","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","K V O3","","- K O3 V -","- K O3 V -","- K4 O12 V4 -","4","0.5","","Hawthorne, F.C.; Calvo, C.","The crystal chemistry of the M(+) V O3 (M(+) = Li, Na, K, N H4, Tl, Rb, and Cs) pyroxenes","Journal of Solid State Chemistry","1977","22","","157","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527492","5.261","","11.425","","5.715","","90","","90","","90","","343.511","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Rb (V O3)","","- O3 Rb V -","- O3 Rb V -","- O12 Rb4 V4 -","4","0.5","","Hawthorne, F.C.; Calvo, C.","The crystal chemistry of the M(+) V O3 (M(+) = Li, Na, K, N H4, Tl, Rb, and Cs) pyroxenes","Journal of Solid State Chemistry","1977","22","","157","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527493","5.393","","12.249","","5.786","","90","","90","","90","","382.217","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Cs V O3","","- Cs O3 V -","- Cs O3 V -","- Cs4 O12 V4 -","4","0.5","","Hawthorne, F.C.; Calvo, C.","The crystal chemistry of the M(+) V O3 (M(+) = Li, Na, K, N H4, Tl, Rb, and Cs) pyroxenes","Journal of Solid State Chemistry","1977","22","","157","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527599","4.1726","","4.1726","","6.2332","","90","","90","","90","","108.524","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Sb Mn0.89 Zn0.94","","- Mn0.89 Sb Zn0.94 -","- Mn0.889 Sb Zn0.942 -","- Mn1.778 Sb2 Zn1.884 -","2","0.125","","Johnson, V.; Jeitschko, W.","Ferromagnetic anti-Pb F Cl-type Zn Mn Sb","Journal of Solid State Chemistry","1977","22","","71","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9012136","10.401","","10.401","","37.316","","90","","90","","120","","3496.04","","","","","","","","","","","","Synthetic","4","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca10.115 Mg0.385 O28 P7 -","- Ca10.115 Mg0.385 O28 P7 -","- Ca60.69 Mg2.31 O168 P42 -","6","0.333333","","Schroeder, L. W.; Dickens, B.; Brown, W. E.","Crystallographic studies of the role of Mg as a stabilizing impurity in beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2 Sample: x = 0.11 Mg Note: changed sign of O3(y) to match bond distances","Journal of Solid State Chemistry","1977","22","","253","262","10.1016/0022-4596(77)90002-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012137","10.337","","10.337","","37.068","","90","","90","","120","","3430.2","","","","","","","","","","","","Synthetic","4","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca9.5 Mg O28 P7 -","- Ca9.5 Mg O28 P7 -","- Ca57 Mg6 O168 P42 -","6","0.333333","","Schroeder, L. W.; Dickens, B.; Brown, W. E.","Crystallographic studies of the role of Mg as a stabilizing impurity in beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2 Sample: x = 0.29 Mg","Journal of Solid State Chemistry","1977","22","","253","262","10.1016/0022-4596(77)90002-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""