# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T04:40:27+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 = 66 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
"1000229","6.182","0.002","6.182","0.002","12.957","0.002","90","","90","","120","","428.8","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Silver indium phosphorus sulfide (.5/.5/1/3)","","- Ag0.5 In0.5 P S3 -","- Ag0.5 In0.5 P S3 -","- Ag2 In2 P4 S12 -","4","0.333333","","Ouili, Z; Leblanc, A; Colombet, P","Crystal structure of a new Lamellar compound Ag~.5~ In~.5~ P S~3~","Journal of Solid State Chemistry","1987","66","","86","94","10.1016/0022-4596(87)90223-4","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000230","7.475","0.001","10.766","0.001","6.594","0.001","90","","90","","90","","530.7","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Manganese iron(III) fluoride dihydrate","","- F5 Fe H4 Mn O2 -","- F5 Fe H4 Mn O2 -","- F20 Fe4 H16 Mn4 O8 -","4","0.5","","Laligant, Y; Pannetier, J; Ferey, G","Ordered magnetic frustration. VI. Crystal and magnetic structures of the inverse Weberites Zn Fe F~5~ (H~2~ O)~2~ and Mn Fe F~5~ (H~2~ O)~2~ at 1.5K from powder neutron diffraction","Journal of Solid State Chemistry","1987","66","","242","250","10.1016/0022-4596(87)90193-9","","","","","","0.0374","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000231","7.451","0.001","10.747","0.001","6.524","0.001","90","","90","","90","","522.4","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Zinc iron(III) fluoride dihydrate","","- F5 Fe H4 O2 Zn -","- F5 Fe H4 O2 Zn -","- F20 Fe4 H16 O8 Zn4 -","4","0.5","","Laligant, Y; Pannetier, J; Ferey, G","Ordered magnetic frustration. VI. Crystal and magnetic structures of the inverse Weberites Zn Fe F~5~ (H~2~ O)~2~ and Mn Fe F~5~ (H~2~ O)~2~ at 1.5K from powder neutron diffraction","Journal of Solid State Chemistry","1987","66","","242","250","10.1016/0022-4596(87)90193-9","","","","","","0.0341","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001354","7.4314","0.0003","7.4314","0.0003","7.4314","0.0003","90","","90","","90","","410.4","","","","","","","","","","","","","5","I m -3","-I 2 2 3","204","","Lithium copper titanium niobium oxide (1.33/2.67/2.67/1.33/12)","","- Cu2.67 Li1.33 Nb1.33 O12 Ti2.67 -","- Cu2.67 Li1.29 Nb1.32 O12 Ti2.68 -","- Cu5.34 Li2.58 Nb2.64 O24 Ti5.36 -","2","0.0416667","","Mouron, P; Choisnet, J","New substituted copper titanates with the Ca Cu~3~ Ti~4~ O~12~ structure: Li (Cu~3-x~ Li~x~) (Ti~3-x~ M~1+x~) O~12~ (M(V)=Nb: 12<x<.33; M(V)=Ta: x=.33)","Journal of Solid State Chemistry","1987","66","","311","317","10.1016/0022-4596(87)90200-3","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001627","6.575","0.002","5.304","0.001","27.07599","0.003","89.62","0.01","96.17","0.01","90.26","0.01","938.7","","","","","","","","","","","","","4","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","Sodium phosphate tungstate (1.7/4/14)","","- Na1.7 O50 P4 W14 -","- Na1.7 O50 P4 W14 -","- Na1.7 O50 P4 W14 -","1","","","Lamire, M; Labbe, P; Goreaud, M; Raveau, B","Na(x) P4 W14 O50: The sodium m=7 member of the monophosphate tungsten bronze series A(x)(P O2)4 (W O3)2m","Journal of Solid State Chemistry","1987","66","","64","72","10.1016/0022-4596(87)90221-0","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005043","6.034","0.001","12.236","0.002","3.888","0.001","90","","90","","90","","287.1","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Dilanthanum dimolybdate(IV)","","- La2 Mo2 O7 -","- La2 Mo2 O7 -","- La4 Mo4 O14 -","2","0.25","","Moini, A; Subramanian, M A; Clearfield, A; DiSalvo, F J; McCarroll, W H","Structure and properties of La2 Mo2 O7: A quasi-twodimensional metallic oxide with strong Mo-Mo bonds","Journal of Solid State Chemistry","1987","66","","136","143","10.1016/0022-4596(87)90228-3","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1529559","9.625","","9.625","","6.747","","90","","90","","120","","541.306","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Co0.99 Ca4.01 Cl0.89 (P O4)3","","- Ca4.01 Cl0.89 Co0.99 O12 P3 -","- Ca4.01 Cl0.89 Co0.99 O12 P3 -","- Ca8.02 Cl1.78 Co1.98 O24 P6 -","2","0.166667","","Anderson, J.B.; Kostiner, E.","The crystal structure of cobalt-substituted calcium chlorapatite","Journal of Solid State Chemistry","1987","66","","343","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","154008","2020-10-21","18:00:00",""
"1529802","6.549","","6.549","","3.8039","","90","","90","","120","","141.289","","","","","","","","","","","","","4","P -6 m 2","P -6 2","187","","K Pb La F6","","- F6 K La Pb -","- F6 K La Pb -","- F6 K La Pb -","1","0.0833333","","Dib, A.; Roux, M.T.; Aleonard, S.","Composes Pb2x K3/2-x Ln3/2-x F6 de type Gargarinite. Structure d'un cristal macle de K Pb La F6. Relations structurales avec les composes de types Na Nd F4 et K Ce F4","Journal of Solid State Chemistry","1987","66","","47","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529950","13.384","","4.0616","","16.883","","90","","106.27","","90","","881.013","","","","","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- Mo8 O23 -","- Mo8 O23 -","- Mo16 O46 -","2","0.5","","Fujishita, H.; Sato, M.; Hoshino, S.; Sato, S.","Structure determination of low-dimensional conductor Mo8 O23","Journal of Solid State Chemistry","1987","66","","40","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529951","13.39","","8.062","","16.82","","90","","106.02","","90","","1745.21","","","","","","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- Mo8 O23 -","- Mo8 O23 -","- Mo32 O92 -","4","2","","Fujishita, H.; Sato, M.; Sato, S.; Hoshino, S.","Structure determination of low-dimensional conductor Mo8 O23","Journal of Solid State Chemistry","1987","66","","40","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530021","12.862","","13.862","","16.029","","90","","127.7","","90","","2261.21","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","(Nb Se4)4 Br2","","- Br2 Nb4 Se16 -","- Br2 Nb4 Se16 -","- Br8 Nb16 Se64 -","4","1","","Grenouilleau, P.; Guemas, L.; Meerschaut, A.; Rouxel, J.","M4 Se16 Br2 (M= Nb, Ta), a new chain-like structure from progressive condensation of (M2 Se4) groups","Journal of Solid State Chemistry","1987","66","","293","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","154980","2020-10-21","18:00:00",""
"1530022","12.844","","13.875","","16.018","","90","","127.57","","90","","2262.56","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","(Ta Se4)4 Br2","","- Br2 Se16 Ta4 -","- Br2 Se16 Ta4 -","- Br8 Se64 Ta16 -","4","1","","Grenouilleau, P.; Meerschaut, A.; Guemas, L.; Rouxel, J.","M4 Se16 Br2 (M= Nb, Ta), a new chain-like structure from progressive condensation of (M2 Se4) groups","Journal of Solid State Chemistry","1987","66","","293","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","154981","2020-10-21","18:00:00",""
"1530025","3.829","","17.012","","2.962","","90","","90","","90","","192.942","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Cs.6 Ti1.84 O4","","- Cs0.6 O4 Ti1.84 -","- Cs0.604 O4 Ti1.84 -","- Cs1.208 O8 Ti3.68 -","2","0.125","","Grey, I.E.; Li, C.; Madsen, I.C.; Watts, J.A.","The stability and structure of Csx (Ti2-x/4) O4 0.61< x< 0.65","Journal of Solid State Chemistry","1987","66","","7","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","154984","2020-10-21","18:00:00",""
"1530513","12.762","","5.523","","9.499","","90","","90.61","","90","","669.495","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Li.9 Mo6 O17","","- Li0.9 Mo6 O17 -","- Li0.9 Mo6 O17 -","- Li1.8 Mo12 O34 -","2","0.5","","Onoda, M.; Toriumi, K.; Matsuda, Y.; Sato, M.","Crystal structure of lithium molybdenum purple bronze Li0.9 Mo6 O17","Journal of Solid State Chemistry","1987","66","","163","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","155637","2020-10-21","18:00:00",""
"1530731","7.191","","7.191","","17.398","","90","","90","","120","","779.128","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Mn2 (Sb2 O7)","","- Mn2 O7 Sb2 -","- Mn2 O7 Sb2 -","- Mn12 O42 Sb12 -","6","1","","Scott, H.G.","Synthesis and crystal structures of the manganous antimonates Mn2 Sb2 O7 and Mn Sb2 O6","Journal of Solid State Chemistry","1987","66","","171","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","155930","2020-10-21","18:00:00",""
"1530732","8.8054","","8.8054","","4.7229","","90","","90","","120","","317.13","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Mn (Sb2 O6)","","- Mn O6 Sb2 -","- Mn O6 Sb2 -","- Mn3 O18 Sb6 -","3","0.5","","Scott, H.G.","Synthesis and crystal structures of the manganous antimonates Mn2 Sb2 O7 and Mn Sb2 O6","Journal of Solid State Chemistry","1987","66","","171","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530888","6.6849","","6.6849","","5.0887","","90","","90","","90","","227.403","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Fe Cl Mo O4","","- Cl Fe Mo O4 -","- Cl Fe Mo O4 -","- Cl2 Fe2 Mo2 O8 -","2","0.125","","Torardi, C.C.; Zhang, J.-H.; Reiff, W.M.; Lazar, K.; Cox, D.E.","Further aspects of the structure and magnetism of the layered compound Fe Cl Mo O4; Moessbauer spectroscopy, susceptibility and powder neutron diffraction studies","Journal of Solid State Chemistry","1987","66","","105","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530974","10.062","","10.062","","2.9369","","90","","90","","90","","297.343","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K1.5 (Al1.5 Ti6.5) O16","","- Al1.5 K1.5 O16 Ti6.5 -","- Al1.52 K1.5 O16 Ti6.48 -","- Al1.52 K1.5 O16 Ti6.48 -","1","0.0625","","Watanabe, M.; Fujiki, Y.; Kanazawa, Y.; Tsukimura, K.","The effects of cation substitution on the Hollandite-type structure","Journal of Solid State Chemistry","1987","66","","56","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","156217","2020-10-21","18:00:00",""
"1530975","10.11","","10.11","","2.9375","","90","","90","","90","","300.248","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Rb1.47 (Al1.47 Ti6.53) O16","","- Al1.47 O16 Rb1.47 Ti6.53 -","- Al1.44 O16 Rb1.48 Ti6.56 -","- Al1.44 O16 Rb1.48 Ti6.56 -","1","0.0625","","Watanabe, M.; Tsukimura, K.; Fujiki, Y.; Kanazawa, Y.","The effects of cation substitution on the Hollandite-type structure","Journal of Solid State Chemistry","1987","66","","56","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","156218","2020-10-21","18:00:00",""