# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T11:27:54+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 = 70 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
"1008338","7.084","0.003","11.303","0.004","5.394","0.002","90","","113.2","0.1","90","","397","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Potassium iron(III) sulfide","","- Fe K S2 -","- Fe K S2 -","- Fe4 K4 S8 -","4","0.5","","Bronger, W; Kyas, A; Muller, P","The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations","Journal of Solid State Chemistry","1987","70","","262","270","10.1016/0022-4596(87)90065-X","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008339","7.223","0.003","11.725","0.003","5.43","0.002","90","","112","0.1","90","","426.4","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rubidium iron(III) sulfide","","- Fe Rb S2 -","- Fe Rb S2 -","- Fe4 Rb4 S8 -","4","0.5","","Bronger, W; Kyas, A; Muller, P","The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations","Journal of Solid State Chemistry","1987","70","","262","270","10.1016/0022-4596(87)90065-X","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008340","7.028","0.004","11.201","0.005","5.388","0.002","90","","113.3","0.1","90","","389.6","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Potassium iron sulfide","","- Fe K S2 -","- Fe K S2 -","- Fe4 K4 S8 -","4","0.5","","Bronger, W; Kyas, A; Muller, P","The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations","Journal of Solid State Chemistry","1987","70","","262","270","10.1016/0022-4596(87)90065-X","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008341","7.245","0.003","11.762","0.004","5.455","0.002","90","","112","0.1","90","","431","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rubidium iron sulfide","","- Fe Rb S2 -","- Fe Rb S2 -","- Fe4 Rb4 S8 -","4","0.5","","Bronger, W; Kyas, A; Muller, P","The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations","Journal of Solid State Chemistry","1987","70","","262","270","10.1016/0022-4596(87)90065-X","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008342","7.189","0.002","11.619","0.005","5.435","0.002","90","","112.2","0.1","90","","420.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rubidium iron sulfide","","- Fe Rb S2 -","- Fe Rb S2 -","- Fe4 Rb4 S8 -","4","0.5","","Bronger, W; Kyas, A; Muller, P","The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations","Journal of Solid State Chemistry","1987","70","","262","270","10.1016/0022-4596(87)90065-X","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008695","7.082","0.004","11.329","0.004","5.403","0.003","90","","113.2","0.1","90","","398.4","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Potassium iron sulfide","","- Fe K S2 -","- Fe K S2 -","- Fe4 K4 S8 -","4","0.5","","Bronger, W; Kyas, A; Muller, P","The antiferromagnetic structures of K Fe S2, Rb Fe S2, K Fe Se2, and Rb Fe Se2 and the correlation between magnetic moments and crystal field calculations","Journal of Solid State Chemistry","1987","70","","262","270","10.1016/0022-4596(87)90065-X","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1510154","4.289","","4.289","","10.726","","90","","90","","90","","197.31","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Au Nd Ga3","","- Au Ga3 Nd -","- Au Ga3 Nd -","- Au2 Ga6 Nd2 -","2","0.0625","","Rogl, P.; Hiebl, K.; Grin', Yu.N.; Noel, H.; Wagner, F.E.","Structural chemistry and magnetic behavior of ternary gallides RE Aux Ga4-x, RE= La, Ce, Pr, Nd, and Sm","Journal of Solid State Chemistry","1987","70","","168","177","10.1016/0022-4596(87)90053-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510155","4.396","","4.396","","10.568","","90","","90","","90","","204.225","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Au La2 Ga7","","- Au Ga7 La2 -","- Au Ga7 La2 -","- Au Ga7 La2 -","1","0.03125","","Rogl, P.; Noel, H.; Wagner, F.E.; Grin', Yu.N.; Hiebl, K.","Structural chemistry and magnetic behavior of ternary gallides RE Aux Ga4-x, RE= La, Ce, Pr, Nd, and Sm","Journal of Solid State Chemistry","1987","70","","168","177","10.1016/0022-4596(87)90053-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510343","4.343","","4.343","","10.641","","90","","90","","90","","200.707","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au1.5 Ce2 Ga6.5 -","- Au1.5 Ce2 Ga6.5 -","- Au1.5 Ce2 Ga6.5 -","1","0.03125","","Wagner, F.E.; Hiebl, K.; Noel, H.; Grin', Yu.N.; Rogl, P.","Structural chemistry and magnetic behavior of ternary gallides RE Aux Ga4-x, RE= La, Ce, Pr, Nd, and Sm","Journal of Solid State Chemistry","1987","70","","168","177","10.1016/0022-4596(87)90053-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510345","4.32","","4.32","","10.653","","90","","90","","90","","198.811","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Au1.5 Pr2 Ga6.5","","- Au1.5 Ga6.5 Pr2 -","- Au1.5 Ga6.5 Pr2 -","- Au1.5 Ga6.5 Pr2 -","1","0.03125","","Noel, H.; Hiebl, K.; Grin', Yu.N.; Wagner, F.E.; Rogl, P.","Structural chemistry and magnetic behavior of ternary gallides RE Aux Ga4-x, RE= La, Ce, Pr, Nd, and Sm","Journal of Solid State Chemistry","1987","70","","168","177","10.1016/0022-4596(87)90053-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510346","4.259","","4.259","","10.598","","90","","90","","90","","192.238","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Au1.5 Sm2 Ga6.5","","- Au1.5 Ga6.5 Sm2 -","- Au1.5 Ga6.5 Sm2 -","- Au1.5 Ga6.5 Sm2 -","1","0.03125","","Hiebl, K.; Wagner, F.E.; Grin', Yu.N.; Noel, H.; Rogl, P.","Structural chemistry and magnetic behavior of ternary gallides RE Aux Ga4-x, RE= La, Ce, Pr, Nd, and Sm","Journal of Solid State Chemistry","1987","70","","168","177","10.1016/0022-4596(87)90053-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1529832","5.247","","13.353","","8.981","","90","","90","","90","","629.238","","","","","","","","","","","","","4","P n m 21","P 2bc -2bc","31","","Ba Cu (Se O3)2","","- Ba Cu O6 Se2 -","- Ba Cu O6 Se2 -","- Ba4 Cu4 O24 Se8 -","4","1","","Effenberger, H.","Three modifications of Ba Cu (Se O3)2 and the compound Sr Cu (Se O3)2: Preparation and crystal structure determination","Journal of Solid State Chemistry","1987","70","","303","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529833","8.031","","5.185","","15.823","","90","","90.83","","90","","658.812","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ba Cu (Se O3)2","","- Ba Cu O6 Se2 -","- Ba Cu O6 Se2 -","- Ba4 Cu4 O24 Se8 -","4","0.5","","Effenberger, H.","Three modifications of Ba Cu (Se O3)2 and the compound Sr Cu (Se O3)2: Preparation and crystal structure determination","Journal of Solid State Chemistry","1987","70","","303","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529834","7.929","","5.132","","14.997","","90","","90.53","","90","","610.226","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sr Cu (Se O3)2","","- Cu O6 Se2 Sr -","- Cu O6 Se2 Sr -","- Cu4 O24 Se8 Sr4 -","4","0.5","","Effenberger, H.","Three modifications of Ba Cu (Se O3)2 and the compound Sr Cu (Se O3)2: Preparation and crystal structure determination","Journal of Solid State Chemistry","1987","70","","303","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530167","3.6295","","3.6295","","17.885","","90","","90","","120","","204.039","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Zr.75 S","","- S Zr0.75 -","- S Zr0.75 -","- S6 Zr4.5 -","6","0.166667","","Kim, S.-J.; Nguyen, T.-H.; Franzen, H.F.","The homogeneity ranges, order-disorder transition, and structures of the nonstoichiometric monosulfides of zirconium","Journal of Solid State Chemistry","1987","70","","88","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530400","14.205","","23.7219","","38.243","","90","","90","","90","","12886.7","","","","","","","","","","","","","3","I b c a","-I 2b 2c","73","","Nb3 Se10 Br2","","- Br2 Nb3 Se10 -","- Br1.995 Nb3 Se10.005 -","- Br63.84 Nb96 Se320.16 -","32","2","","Meerschaut, A.; Grenouilleau, P.; Guemas, L.; Rouxel, J.","Characterization of a mixed-chains one-dimensional compound","Journal of Solid State Chemistry","1987","70","","36","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","155498","2020-10-21","18:00:00",""
"1530569","5.237","","8.043","","18.978","","90","","90","","90","","799.376","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Na As4 O6 Br","","- As4 Br Na O6 -","- As4 Br Na O6 -","- As16 Br4 Na4 O24 -","4","0.5","","Pertlik, F.","The crystal structure of Na As4 O6 Br","Journal of Solid State Chemistry","1987","70","","225","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530982","9.5737","","4.453","","3.4944","","90","","90","","90","","148.972","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Li2 Pr O3","","- Li2 O3 Pr -","- Li2 O3 Pr -","- Li4 O6 Pr2 -","2","0.125","","von Wolf, R.; Hoppe, R.","Ein neues Oxopraseodymat(IV): Li2 Pr O3","Journal of Solid State Chemistry","1987","70","","12","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530999","11.43","","7.89","","3.67","","90","","90","","90.2","","330.968","","","","","","","","","","","","","4","B 1 1 2/m","-B 2","12","","Nd Cr O S2","","- Cr Nd O S2 -","- Cr Nd O S2 -","- Cr4 Nd4 O4 S8 -","4","0.5","","Wintenberger, M.; Dugue, J.; Guittard, M.; Tien, V.; Dung, N.H.","Ferro- and antiferromagnetism in oxychalcogenides Ln Cr O X2 (Ln= La or Nd and X= S or Se)","Journal of Solid State Chemistry","1987","70","","295","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539663","10.359","","5.388","","11.234","","90","","110.48","","90","","587.387","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","K2 Cu3 (O2 As O As O3)2","","- As4 Cu3 K2 O12 -","- As4 Cu3 K2 O12 -","- As8 Cu6 K4 O24 -","2","0.25","","Effenberger, H.; Pertlik, F.","(As(V) As(III) O6)(4-): An uncommon anion group in the crystal structure of K2 Cu3 (As2 O6)2","Journal of Solid State Chemistry","1987","70","","219","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","168646","2020-10-21","18:00:00",""
"9012191","3.1532","","3.1532","","12.323","","90","","90","","120","","106.108","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","Tungstenite","- S2 W -","- S2 W -","- S4 W2 -","2","0.0833333","","Schutte, W. J.; de Boer, J. L.; Jellinek, F.","Crystal structures of tungsten disulfide and diselenide Sample: 2H polytype","Journal of Solid State Chemistry","1987","70","","207","209","10.1016/0022-4596(87)90057-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012192","3.158","","3.158","","18.49","","90","","90","","120","","159.695","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","","Tungstenite","- S2 W -","- S2 W -","- S6 W3 -","3","0.166667","","Schutte, W. J.; de Boer, J. L.; Jellinek, F.","Crystal structures of tungsten disulfide and diselenide Sample: 3R polytype","Journal of Solid State Chemistry","1987","70","","207","209","10.1016/0022-4596(87)90057-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012193","3.282","","3.282","","12.96","","90","","90","","120","","120.896","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","WSe2","- Se2 W -","- Se2 W -","- Se4 W2 -","2","0.0833333","","Schutte, W. J.; de Boer, J. L.; Jellinek, F.","Crystal structures of tungsten disulfide and diselenide","Journal of Solid State Chemistry","1987","70","","207","209","10.1016/0022-4596(87)90057-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""