# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T10:13:37+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 Materials Chemistry') AND volume = 8 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
"1008901","15.9634","0.0005","7.8502","0.0002","10.8664","0.0003","90","","97.931","0.002","90","","1348.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tricerium bis(tetrathiosilicate) iodide","","- Ce3 I S8 Si2 -","- Ce3 I S8 Si2 -","- Ce12 I4 S32 Si8 -","4","0.5","","Gauthier, G; Kawasaki, S; Jobic, S; Macaudiere, P; Brec, R; Rouxel, J","Characterization of Ce3 (Si S4)2 I, a compound with a new structure type","Journal of Materials Chemistry","1998","8","1","179","186","10.1039/a704702i","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"6000375","8.1174","","15.1841","","19.8803","","90","","93.762","","90","","2445.07","","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- C15 H30 Nd2 O18 -","","","","","","Serpaggi, F.; Ferey, G.","Hybrid open frameworks (MIL-n). Part 4 - Synthesis and crystal structure of MIL-8, a series of lanthanide glutarates with an open framework, [Ln(H2O)](2)[O2C(CH2)(3)CO2](3).4H(2)O","Journal of Materials Chemistry","1998","8","","2737","2741","10.1039/a802713g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000376","8.2141","","18.9644","","5.2622","","90","","111.999","","90","","760.04","","","","","","","","","","","","","5","C 1 2/m 1","","","","","","- C3 H7 Gd O6 P2 -","","","","","","Serpaggi, F.; Ferey, G.","Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray powder ab initio structure determination of MIL-11, a series of lanthanide organodiphosphonates with three-dimensional networks, Ln(III)H[O3P(CH2)(n)PO3](n = 1-3)","Journal of Materials Chemistry","1998","8","","2749","2755","10.1039/a802715c","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000377","5.2918","","15.975","","8.338","","90","","111.491","","90","","655.86","","","","","","","","","","","","","5","P 1 21/c 1","","","","","","- C2 H5 Ga O6 P2 -","","","","","","Serpaggi, F.; Ferey, G.","Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray powder ab initio structure determination of MIL-11, a series of lanthanide organodiphosphonates with three-dimensional networks, Ln(III)H[O3P(CH2)(n)PO3](n = 1-3)","Journal of Materials Chemistry","1998","8","","2749","2755","10.1039/a802715c","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000378","8.3271","","14.0645","","5.3489","","90","","111.433","","90","","583.12","","","","","","","","","","","","","5","C 1 2/m 1","","","","","","- C H3 O6 P2 Pr -","","","","","","Serpaggi, F.; Ferey, G.","Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray powder ab initio structure determination of MIL-11, a series of lanthanide organodiphosphonates with three-dimensional networks, Ln(III)H[O3P(CH2)(n)PO3](n = 1-3)","Journal of Materials Chemistry","1998","8","","2749","2755","10.1039/a802715c","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000388","11.2728","","11.2728","","9.803","","90","","90","","90","","1245.73","","","","","","","","","","","","","3","I 41/a","","","","","","- Mn3 O8 Ta2 -","","","","","","Esmaeilzadeh, S.; Grins, J.; Fitch, A.","Determination of the fluorite related structure of Mn3Ta2O8, using synchrotron X-ray powder and electron diffraction data","Journal of Materials Chemistry","1998","8","","2493","2497","10.1039/a804938k","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000423","5.5593","","5.4151","","11.773","","90","","90.144","","90","","354.42","","","","","","","","","","","","","3","P 1 21 1","","","","","","- Co3 La3 O8 -","","","","","","Hansteen, O. H.; Fjellvag, H.; Hauback, B. C.","Crystal structure, thermal and magnetic properties of La3Co3O8. Phase relations for LaCoO3-delta (0.00 <=delta <= 0.50) at 673 k","Journal of Materials Chemistry","1998","8","","2081","2088","10.1039/a801796d","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000424","5.4572","","28.553","","5.6542","","90","","90","","90","","881.03","","","","","","","","","","","","","3","P n m a","","","","","","- Co3 La4 O9 -","","","","","","Hansteen, O. H.; Fjellvag, H.; Hauback, B. C.","Crystal structure, thermal and magnetic properties of La4Co3O9. Phase relations for La4Co3O10-delta (0.00 <=delta <= 1.00) at 673 k","Journal of Materials Chemistry","1998","8","","2089","2093","10.1039/a801798k","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000442","11.0763","","11.0763","","11.0763","","90","","90","","90","","1358.9","","","","","","","","","","","","","3","F d -3 m","","","","","","- Fe Mo3 N -","","","","","","Alconchel, S.; Sapina, F.; Beltran, D.; Beltran, A.","Chemistry of interstitial molybdenum ternary nitrides MnMo3N (M = Fe, Co, n = 3; m = Ni, n = 2)","Journal of Materials Chemistry","1998","8","","1901","1909","10.1039/a801643g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000443","11.024","","11.024","","11.024","","90","","90","","90","","1339.72","","","","","","","","","","","","","3","F d -3 m","","","","","","- Co Mo3 N -","","","","","","Alconchel, S.; Sapina, F.; Beltran, D.; Beltran, A.","Chemistry of interstitial molybdenum ternary nitrides MnMo3N (M = Fe, Co, n = 3; m = Ni, n = 2)","Journal of Materials Chemistry","1998","8","","1901","1909","10.1039/a801643g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000444","6.6342","","6.6342","","6.6342","","90","","90","","90","","291.99","","","","","","","","","","","","","3","P 41 3 2","","","","","","- Mo3 N Ni2 -","","","","","","Alconchel, S.; Sapina, F.; Beltran, D.; Beltran, A.","Chemistry of interstitial molybdenum ternary nitrides MnMo3N (M = Fe, Co, n = 3; m = Ni, n = 2)","Journal of Materials Chemistry","1998","8","","1901","1909","10.1039/a801643g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000644","14.009","","14.009","","9.386","","90","","90","","120","","1595.24","","","","","","","","","","","","","4","R 3","","","","","","- As Li O4 Zn -","","","","","","Jensen, T. R.; Norby, P.; Hanson, J. C.; Simonsen, O.; Skou, E. M.; Stein, P. C.; Boye, H. A.","Hydrothermal synthesis and crystal structure of alpha-LiZnAsO4","Journal of Materials Chemistry","1998","8","","969","975","10.1039/a707130b","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000645","5.6881","","5.6821","","8.0566","","90","","90","","90","","260.39","","","","","","","","","","","","","3","P 21 21 21","","","","","","- Nb O3 Sr0.97 -","","","","","","Peng, N. H.; Irvine, J. T. S.; Fitzgerald, A. G.","Synthesis and crystal structure of the distorted perovskite Sr0.97NbO3 determined by high resolution powder neutron diffraction","Journal of Materials Chemistry","1998","8","","1033","1038","10.1039/a708290h","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7209446","8.078","","15.981","","3.5519","","90","","101.26","","90","","449.705","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Ca4 Gd O (B O3)3","","- B3 Ca4 Gd O10 -","- B3 Ca4 Gd O10 -","- B6 Ca8 Gd2 O20 -","2","0.5","","Kahn-Harari, A.; Aka, G.; Mougel, F.; Pelenc, D.","Structural and thermal stability of Czochralski grown Gd C O B oxoborate single crystals","Journal of Materials Chemistry","1998","8","","1619","1623","10.1039/a800492g","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214217","4.963","0.001","4.963","0.001","16.957","0.006","90","","90","","120","","361.72","0.16","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","Magnesium calcite","- C Ca0.94 Mg0.06 O3 -","- C Ca0.94 Mg0.06 O3 -","- C6 Ca5.64 Mg0.36 O18 -","6","0.166667","","Falini, G.; Fermani, S.; Gazzano, M.; Ripamonti, A.","Structure and morphology of synthetic magnesium calcite","Journal of Materials Chemistry","1998","8","","1061","1065","10.1039/a707893e","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217114","9.175","0.002","9.849","0.003","22.197","0.004","90","","94.13","0.02","90","","2000.6","0.8","123","","123","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H31 F6 N2 P -","- C16 H31 F6 N2 P -","- C64 H124 F24 N8 P4 -","4","1","","Gordon, Charles M.; Holbrey, John D.; Kennedy, Alan R.; Seddon, Kenneth R.","Ionic liquid crystals: hexafluorophosphate salts","Journal of Materials Chemistry","1998","8","12","2627","","10.1039/a806169f","","","0.71069","MoKalpha","","0.1082","0.0394","","0.0519","0.0435","","","","","1.339","1.339","","","","","has coordinates","176453","2020-10-21","18:00:00",""