# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-25T17:26:15+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 = 5 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
"1008962","11.746","","11.746","","11.746","","90","","90","","90","","1620.6","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Cobalt manganese antimonide (1/1/1)","","- Co Mn Sb -","- Co Mn Sb -","- Co32 Mn32 Sb32 -","32","0.166667","","Senateur, J P; Rouault, A; Fruchart, R","Structure and alloy chemistry of metastable Ge Sb","Journal of Solid State Chemistry","1972","5","","226","228","10.1016/0022-4596(72)90032-1","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508974","5.428","","5.428","","5.428","","90","","90","","90","","159.926","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Silver gallium zinc sulfide (0.08/0.08/0.84/1)","","- Ag0.08 Ga0.08 S Zn0.84 -","- Ag0.08 Ga0.08 S Zn0.84 -","- Ag0.32 Ga0.32 S4 Zn3.36 -","4","0.0416667","","Miksovsky, M.A.; Robbins, M.","Preparation of and phase relationships in systems of the type Zn S - M(I) M(III) S2 where M(I)= Cu, Ag and M(III)= In, Ga, Al","Journal of Solid State Chemistry","1972","5","","462","466","10.1016/0022-4596(72)90094-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509114","5.42","","5.42","","5.42","","90","","90","","90","","159.22","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Silver aluminum zinc sulfide (0.08/0.08/0.84/1)","","- Ag0.08 Al0.08 S Zn0.84 -","- Ag0.08 Al0.08 S Zn0.84 -","- Ag0.32 Al0.32 S4 Zn3.36 -","4","0.0416667","","Robbins, M.; Miksovsky, M.A.","Preparation of and phase relationships in systems of the type Zn S - M(I) M(II) S2 where M(I)= Cu, Ag and M(III)= In, Ga, Al","Journal of Solid State Chemistry","1972","5","","462","466","10.1016/0022-4596(72)90094-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1525744","5.91","","10.727","","7.91","","90","","90","","90","","501.467","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Tl2 Cr O4","","- Cr O4 Tl2 -","- Cr O4 Tl2 -","- Cr4 O16 Tl8 -","4","0.5","","Carter, R.L.; Margulis, T.N.","Crystal Structure of Tl2 Cr O4","Journal of Solid State Chemistry","1972","5","","75","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1525849","5.385","","5.366","","11.81","","90","","90","","90","","341.261","","","","","","","","","","","","","4","F m m 2","F 2 -2","42","","Ca1.50 Nd.50 Mn O4","","- Ca1.5 Mn Nd0.5 O4 -","- Ca1.5 Mn Nd0.5 O4 -","- Ca6 Mn4 Nd2 O16 -","4","0.25","","Daoudi, A.; le Flem, G.","Sur une Serie de Solutions Solides de Formule Ca2-x Lnx Mn O4 (Ln = Pr, Nd, Sm, Eu, Gd)","Journal of Solid State Chemistry","1972","5","","57","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526007","5.099","","4.934","","12.672","","90","","105.85","","90","","306.687","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Te (V O4)","","- O4 Te V -","- O4 Te V -","- O16 Te4 V4 -","4","1","","Meunier, G.; Darriet, J.; Galy, J.","L'oxyde double Te V O4 I. Synthese et polymorphisme, structure cristalline de alpha-Te V O4","Journal of Solid State Chemistry","1972","5","","314","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526059","7.1772","","7.1772","","6.3289","","90","","90","","90","","326.016","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Tb (V O4)","","- O4 Tb V -","- O4 Tb V -","- O16 Tb4 V4 -","4","0.125","","Fuess, H.; Kallel, A.","Refinement of the crystal structure of some rare earth vanadates R V O4 (R = Dy, Tb, Ho, Yb)","Journal of Solid State Chemistry","1972","5","","11","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526060","7.143","","7.143","","6.313","","90","","90","","90","","322.105","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Dy (V O4)","","- Dy O4 V -","- Dy O4 V -","- Dy4 O16 V4 -","4","0.125","","Fuess, H.; Kallel, A.","Refinement of the Crystal Structure of Some Rare Earth Vanadates R V O4 (R = Dy, Tb, Ho, Yb)","Journal of Solid State Chemistry","1972","5","","11","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526061","7.1214","","7.1214","","6.2926","","90","","90","","90","","319.125","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Ho (V O4)","","- Ho O4 V -","- Ho O4 V -","- Ho4 O16 V4 -","4","0.125","","Fuess, H.; Kallel, A.","Refinement of the Crystal Structure of Some Rare Earth Vanadates R V O4 (R = Dy, Tb, Ho, Yb)","Journal of Solid State Chemistry","1972","5","","11","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526138","7.77","","6.143","","6.965","","90","","90","","90","","332.447","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","V (P O4) O","","- O5 P V -","- O5 P V -","- O20 P4 V4 -","4","0.5","","Gopal, R.; Calvo, C.","Crystal structure of beta-V P O5","Journal of Solid State Chemistry","1972","5","","432","435","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526158","7.032","","5","","14.425","","90","","116.59","","90","","453.539","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cr Fe Ti2 O7","","- Cr Fe O7 Ti2 -","- Cr Fe O7 Ti2 -","- Cr4 Fe4 O28 Ti8 -","4","1","","Grey, I.E.; Mumme, W.G.","The Structure of Cr Fe Ti2 O7","Journal of Solid State Chemistry","1972","5","","168","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526256","3.947","","3.947","","3.947","","90","","90","","90","","61.49","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(Sr3 Fe2 Te O9)0.333","","- Fe0.666 O2.997 Sr0.999 Te0.333 -","- Fe0.6667 O3 Sr Te0.3333 -","- Fe0.6667 O3 Sr Te0.3333 -","1","0.0208333","","Harari, D.; Bernier, J.C.; Poix, P.","Contribution a l'Etude de Deux Tellurates de Type Perovskite","Journal of Solid State Chemistry","1972","5","","382","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","147398","2020-10-21","18:00:00",""
"1526258","5.77","","5.77","","14.207","","90","","90","","120","","409.623","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Fe ((Fe Te) O9)","","- Ba3 Fe2 O9 Te -","- Ba3 Fe2 O9 Te -","- Ba6 Fe4 O18 Te2 -","2","0.0833333","","Harari, D.; Bernier, J.C.; Poix, P.","Contribution a l'Etude de Deux Tellurates de Type Perovskite","Journal of Solid State Chemistry","1972","5","","382","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526340","4.9646","","5.4023","","4.9154","","90.32","","119.31","","63.93","","99.496","","","","","","","","","","","","","3","P 1","P 1","1","","Cu V O3","","- Cu O3 V -","- Cu O3 V -","- Cu O3 V -","1","1","","Rea, J.R.; Bless, P.W.; Kostiner, E.","The Crystal Structure of Cu V O3, a Distorted Ilmenite-Type Derivative","Journal of Solid State Chemistry","1972","5","","446","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526355","8.38","","8.38","","8.38","","90","","90","","90","","588.48","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ni Cr Mn O4","","- Cr Mn Ni O4 -","- Cr Mn Ni O4 -","- Cr8 Mn8 Ni8 O32 -","8","0.0416667","","Renault, N.; Baffier, N.; Huber, M.","Distribution Cationique et Distorsion Cristalline dans les Manganites Spinelles Ni Crx Mn2-x O4","Journal of Solid State Chemistry","1972","5","","250","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526357","8.366","","8.366","","8.366","","90","","90","","90","","585.536","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ni Mn.5 Cr1.5 O4","","- Cr1.5 Mn0.5 Ni O4 -","- Cr1.5 Mn0.5 Ni O4 -","- Cr12 Mn4 Ni8 O32 -","8","0.0416667","","Renault, N.; Baffier, N.; Huber, M.","Distribution Cationique et Distorsion Cristalline dans les Manganites Spinelles Ni Crx Mn2-x O4","Journal of Solid State Chemistry","1972","5","","250","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526359","8.33","","8.33","","8.33","","90","","90","","90","","578.01","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ni Mn.2 Cr1.8 O4","","- Cr1.8 Mn0.2 Ni O4 -","- Cr1.8 Mn0.2 Ni O4 -","- Cr14.4 Mn1.6 Ni8 O32 -","8","0.0416667","","Renault, N.; Huber, M.; Baffier, N.","Distribution Cationique et Distorsion Cristalline dans les Manganites Spinelles Ni Crx Mn2-x O4","Journal of Solid State Chemistry","1972","5","","250","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527223","37.63","","3.8358","","13.7129","","90","","91.65","","90","","1978.52","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","In6.6 Ca3.1 S13","","- Ca3.1 In6.6 S13 -","- Ca3.101 In6.6 S13 -","- Ca12.404 In26.4 S52 -","4","0.5","","Chapuis, G.; Niggli, A.","Crystal structure and crystal chemistry of a new sulfide In6.6 Ca3.1 S13","Journal of Solid State Chemistry","1972","5","","126","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","148661","2020-10-21","18:00:00",""
"1527423","3.851","","3.851","","30.85","","90","","90","","120","","396.217","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Zn1.685 In2.21 S5","","- In2.16 S5 Zn1.65 -","- In2.16 S5 Zn1.65 -","- In4.32 S10 Zn3.3 -","2","0.166667","","Gnehm, C.; Niggli, A.","Crystal structures in the system Zn-In-S","Journal of Solid State Chemistry","1972","5","","118","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","148996","2020-10-21","18:00:00",""
"1527424","3.857","","3.857","","24.961","","90","","90","","120","","321.582","","","","","","","","","","","","","3","P 3 m 1","P 3 -2""","156","","Zn4.10 In1.53 S8","","- In1.53 S8 Zn4.1 -","- In1.532 S8 Zn4.1 -","- In1.532 S8 Zn4.1 -","1","0.166667","","Gnehm, C.; Niggli, A.","Crystal Structures in the System Zn-In-S","Journal of Solid State Chemistry","1972","5","","118","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","148997","2020-10-21","18:00:00",""
"1527425","3.838","","3.838","","31.3","","90","","90","","120","","399.287","","","","","","","","","","","","","3","P 3 m 1","P 3 -2""","156","","Zn6.58 In2.02 S10","","- In2.02 S10 Zn6.58 -","- In2.02 S10 Zn6.58 -","- In2.02 S10 Zn6.58 -","1","0.166667","","Gnehm, C.; Niggli, A.","Crystal Structures in the System Zn-In-S","Journal of Solid State Chemistry","1972","5","","118","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","148998","2020-10-21","18:00:00",""
"1527463","7.3785","","7.3785","","10.5125","","90","","90","","120","","495.647","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Sn P3","","- P3 Sn -","- P3 Sn -","- P18 Sn6 -","6","0.166667","","Gullman, J.; Olofsson, O.","The crystal structure of Sn P3 and a note on the crystal structure of Ge P3","Journal of Solid State Chemistry","1972","5","","441","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527464","7.05","","7.05","","9.932","","90","","90","","120","","427.509","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ge P3 -","- Ge P3 -","- Ge6 P18 -","6","0.166667","","Gullman, J.; Olofsson, O.","The Crystal STructure of Sn P3 and a Note on the Crystal Structure of Ge P3","Journal of Solid State Chemistry","1972","5","","441","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527523","8.7835","","11.219","","5.286","","90","","90","","90","","520.893","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba Fe2 S3 -","- Ba Fe2 S3 -","- Ba4 Fe8 S12 -","4","0.25","","Hong, H.Y.-P.; Steinfink, H.","The Crystal Chemistry of Phases in the Ba-Fe-S and Se Systems","Journal of Solid State Chemistry","1972","5","","93","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527524","11.878","","5.447","","9.16","","90","","90","","90","","592.647","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Fe2 Se3 -","- Ba Fe2 Se3 -","- Ba4 Fe8 Se12 -","4","0.5","","Hong, H.Y.-P.; Steinfink, H.","The Crystal Chemistry of Phases in the Ba-Fe-S and Se Systems","Journal of Solid State Chemistry","1972","5","","93","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527525","11.408","","11.408","","10.256","","90","","90","","90","","1334.74","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ba6 Fe8 S15 -","- Ba6 Fe8 S15 -","- Ba12 Fe16 S30 -","2","0.125","","Hong, H.Y.-P.; Steinfink, H.","The Crystal Chemistry of Phases in the Ba-Fe-S and Se Systems","Journal of Solid State Chemistry","1972","5","","93","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527526","10.843","","10.843","","7.384","","90","","90","","120","","751.833","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Ba3 Fe3 Se7 -","- Ba3 Fe3 Se7 -","- Ba6 Fe6 Se14 -","2","0.166667","","Hong, H.Y.-P.; Steinfink, H.","The crystal chemistry of phases in the Ba-Fe-S and Se systems","Journal of Solid State Chemistry","1972","5","","93","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9012107","7.243","","8.808","","5.908","","90","","90","","90","","376.909","","","","140","","","","","","","","Synthetic","4","P b n m","-P 2c 2ab","62","","","Barberiite","- B F4 H4 N -","- B F4 H4 N -","- B4 F16 H16 N4 -","4","0.5","","van Rensburg, D. J. J.; Boeyens, J. C. A.","The crystal structure of ammonium tetrafluoroborate IV at 140 K Sample: T = 140 K Note: x(H2), y(H2) adjusted to match reported bond lengths","Journal of Solid State Chemistry","1972","5","","79","84","10.1016/0022-4596(72)90013-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""