# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-29T16:05:52+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 = 127 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
"1000436","3.8714","0.0001","3.8714","0.0001","7.7789","0.0003","90","","90","","90","","116.6","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Lanthanum lithium titanium oxide (0.6/0.2/1/3)","","- La0.597 Li0.21 O3 Ti -","- La0.592 Li0.21 O3 Ti -","- La1.184 Li0.42 O6 Ti2 -","2","0.125","","Fourquet, J L; Duroy, H; Crosnier-Lopez, M P","Structural and microstructural studies of the series La2/3-x Li3x ( )1/3-2x Ti O3","Journal of Solid State Chemistry","1996","127","","283","294","10.1006/jssc.1996.0385","","","","","","0.113","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000437","3.8741","0.0001","3.8741","0.0001","7.7459","0.0005","90","","90","","90","","116.3","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Lanthanum lithium titanium oxide (0.6/0.3/1/3)","","- La0.557 Li0.33 O3 Ti -","- La0.552 Li0.33 O3 Ti -","- La1.104 Li0.66 O6 Ti2 -","2","0.125","","Fourquet, J L; Duroy, H; Crosnier-Lopez, M P","Structural and microstructural studies of the series La2/3-x Li3x ( )1/3-2x Ti O3","Journal of Solid State Chemistry","1996","127","","283","294","10.1006/jssc.1996.0385","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000438","3.87","","3.87","","7.78","","90","","90","","90","","116.5","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Lanthanum lithium titanium oxide (0.6/0.2/1/3)","","- La0.587 Li0.24 O3 Ti -","- La0.584 Li0.24 O3 Ti -","- La1.168 Li0.48 O6 Ti2 -","2","0.125","","Fourquet, J L; Duroy, H; Crosnier-Lopez, M P","Structural and microstructural studies of the series La2/3-x Li3x ( )1/3-2x Ti O3","Journal of Solid State Chemistry","1996","127","","283","294","10.1006/jssc.1996.0385","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001733","17.545","0.002","17.545","0.002","15.714","0.002","90","","90","","120","","4189.1","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Potassium molybdenum tungsten oxide phosphate(V) (6.6/2.3/3.7/15/4)","","- K6.595 Mo2.34 O31 P4 W3.66 -","- K6.595 Mo2.34 O31 P4 W3.66 -","- K39.57 Mo14.04 O186 P24 W21.96 -","6","0.333333","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A molybdenotungsten monophosphate with an opened structure K6.6 Mo2.36 W3.64 O15 (P O4)4","Journal of Solid State Chemistry","1996","127","","1","8","10.1006/jssc.1996.0349","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001734","5.4599","0.0001","7.711","0.0001","5.466","0.0001","90","","90","","90","","230.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Neodymium strontium manganese oxide (0.7/0.3/1/3)","","- Mn Nd0.7 O3 Sr0.3 -","- Mn Nd0.7 O3 Sr0.3 -","- Mn4 Nd2.8 O12 Sr1.2 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001735","5.4708","0.0001","7.6708","0.0001","5.4254","0.0001","90","","90","","90","","227.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Neodymium strontium calcium manganese oxide (0.7/0.1/0.2/1/3)","","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.88 Mn4 Nd2.8 O12 Sr0.32 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001736","5.482","0.0001","7.6475","0.0001","5.4096","0.0001","90","","90","","90","","226.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Neodymium calcium manganese oxide (0.7/0.3/1/3)","","- Ca0.3 Mn Nd0.7 O3 -","- Ca0.3 Mn Nd0.7 O3 -","- Ca1.2 Mn4 Nd2.8 O12 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001737","5.4494","0.0001","7.6964","0.0001","5.4547","0.0001","90","","90","","90","","228.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Neodymium strontium manganese oxide (0.7/0.3/1/3)","","- Mn Nd0.7 O3 Sr0.3 -","- Mn Nd0.7 O3 Sr0.3 -","- Mn4 Nd2.8 O12 Sr1.2 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001738","5.4734","0.0001","7.6583","0.0001","5.4139","0.0001","90","","90","","90","","226.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Neodymium strontium calcium manganese oxide (0.7/0.1/0.2/1/3)","","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.88 Mn4 Nd2.8 O12 Sr0.32 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001739","5.4881","0.0001","7.6337","0.0001","5.3968","0.0001","90","","90.2","","90","","226.1","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Neodymium calcium manganese oxide (0.7/0.3/1/3)","","- Ca0.3 Mn Nd0.7 O3 -","- Ca0.3 Mn Nd0.7 O3 -","- Ca1.2 Mn4 Nd2.8 O12 -","4","1","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001747","3.8865","0.0001","3.8865","0.0001","41.827","0.002","90","","90","","90","","631.8","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Calcium gadolinium copper oxide chloride (3.8/2.2/3/8.16/3.84)","","- Ca3.8 Cl3.84 Cu3 Gd2.2 O8.16 -","- Ca3.8 Cl3.84 Cu3 Gd2.2 O8.16 -","- Ca7.6 Cl7.68 Cu6 Gd4.4 O16.32 -","2","0.0625","","Pelloquin, D; Sundaresan, A; Hervieu, M; Michel, C; Raveau, B","New copper oxychlorides Ca4 Ln2 Cu3 O8 Cl4, first members of the intergrowth series (Ca2 Cu O2 Cl2)m (Ln2 Ca2 Cu2 O6 Cl2)n (Ln = Gd,Sm)","Journal of Solid State Chemistry","1996","127","","315","324","10.1006/jssc.1996.0389","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001748","14.22","0.001","6.5138","0.0006","7.5166","0.0008","90","","90","","90","","696.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium divanadium(III) oxide bis(phosphate(V))","","- O9 P2 Sr V2 -","- O9 P2 Sr V2 -","- O36 P8 Sr4 V8 -","4","0.5","","Boudin, S; Grandin, A; Labbe, Ph; Provost, J; Raveau, B","The V(III) monophosphate series A V2 O (P O4)2 with A = Cd, Ca, Sr: structure and magnetism","Journal of Solid State Chemistry","1996","127","","325","330","10.1006/jssc.1996.0390","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001749","5.386","0.0007","5.4195","0.0007","15.72","0.002","90","","90","","90","","458.9","","","","","","","","","","","","","7","C m m m","-C 2 2","65","","Lead calcium strontium yttrium copper chromium oxide (1.75/0.2/2/1/2.85/0.15/8)","","- Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y -","- Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y -","- Ca0.4 Cr0.3 Cu5.7 O16 Pb3.5 Sr4 Y2 -","2","0.125","","Seshadri, R; Maignan, A; Hervieu, M; Martin, C; Raveau, B; Rao, C N R","Substitution of chromium for univalent copper in superconducting Pb2 Sr2 (Ca, Y) Cu3 O8+d","Journal of Solid State Chemistry","1996","127","","64","71","10.1006/jssc.1996.0357","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005029","4.568","0.001","4.568","0.001","8.942","0.002","90","","90","","90","","186.6","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Barium cobalt sulfide","","- Ba Co S2 -","- Ba Co S2 -","- Ba2 Co2 S4 -","2","0.125","","Gelabert, M C; Brese, N E; DiSalvo, F J; Jobic, S; Deniard, P; Brec, R","Polymorphism and superstructure in Ba Co S2-d","Journal of Solid State Chemistry","1996","127","","211","221","10.1006/jssc.1996.0377","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1005030","6.439","0.0003","6.4909","0.0003","8.9379","0.0004","90","","90","","90","","373.6","","","","","","","","","","","","","3","C m m a","-C 2a 2","67","","Barium cobalt sulfide (1/1/1.84)","","- Ba Co S1.84 -","- Ba Co S1.84 -","- Ba4 Co4 S7.36 -","4","0.25","","Gelabert, M C; Brese, N E; DiSalvo, F J; Jobic, S; Deniard, P; Brec, R","Polymorphism and superstructure in Ba Co S2-d","Journal of Solid State Chemistry","1996","127","","211","221","10.1006/jssc.1996.0377","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008972","6.329","0.002","8.743","0.002","13.004","0.004","105.59","0.02","90.47","0.03","105.13","0.02","666.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Bis(aquacerium) dioxalate carbonate 2.5-hydrate","","- C5 H9 Ce2 O15.5 -","- C5 H9 Ce2 O15.5 -","- C10 H18 Ce4 O31 -","2","1","","Romero, S; Mosset, A; Trombe, J C","Two new families of lanthanide mixed-ligand complexes, oxalate- carbonate and oxalate-formate: synthesis and and structure of (Ce (H2 O))2 (C2 O4)2 (C O3) * 2.5 H2 O","Journal of Solid State Chemistry","1996","127","","256","266","10.1006/jssc.1996.0382","","","","","","0.0186","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008973","7.322","0.001","10.825","0.002","6.738","0.001","90","","90","","90","","534.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cerium oxalate formate","","- C3 H Ce O6 -","- C3 H Ce O6 -","- C12 H4 Ce4 O24 -","4","0.5","","Romero, S; Mosset, A; Trombe, J C","Two new families of lanthanide mixed-ligand complexes, oxalate- carbonate and oxalate-formate: synthesis and and structure of (Ce (H2 O))2 (C2 O4)2 (C O3) * 2.5 H2 O","Journal of Solid State Chemistry","1996","127","","256","266","10.1006/jssc.1996.0382","","","","","","0.0189","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1509783","12.599","","12.607","","14.067","","90","","90","","90","","2234.34","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K5 (Ag2 As3 Se9)","","- Ag2 As3 K5 Se9 -","- Ag2 As3 K5 Se9 -","- Ag8 As12 K20 Se36 -","4","0.5","","Chou Junhong; Kanatzidis, M.G.","Isolation of beta-Ag3 As Se3, (Me3 N H) (Ag3 As2 Se5), K5 Ag2 As3 Se9, and K Ag3 As2 S5 : novel solid state silver thio- and selenoarsenates from solvento-thermal synthesis","Journal of Solid State Chemistry","1996","127","","186","201","10.1006/jssc.1996.0375","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509845","8.111","","11.344","","20.728","","90","","90","","90","","1907.21","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ag3 (As Se3)","","- Ag3 As Se3 -","- Ag3 As Se3 -","- Ag36 As12 Se36 -","12","1.5","","Chou Junhong; Kanatzidis, M.G.","Isolation of beta-Ag3 As Se3, (Me3 N H) (Ag3 As2 Se5), K5 Ag2 As3 Se9, and K Ag3 As2 S5 : novel solid state silver thio- and selenoarsenates from solvento-thermal synthesis","Journal of Solid State Chemistry","1996","127","","186","201","10.1006/jssc.1996.0375","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509856","19.21","","16.867","","6.3491","","90","","90","","90","","2057.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K (Ag3 As2 S5)","","- Ag3 As2 K S5 -","- Ag3 As2 K S5 -","- Ag24 As16 K8 S40 -","8","1","","Kanatzidis, M.G.; Chou Junhong","Isolation of beta-Ag3 As Se3, (Me3 N H) (Ag3 As2 Se5), K5 Ag2 As3 Se9, and K Ag3 As2 S5 : novel solid state silver thio- and selenoarsenates from solvento-thermal synthesis","Journal of Solid State Chemistry","1996","127","","186","201","10.1006/jssc.1996.0375","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511015","4.6092","","4.6092","","2.9673","","90","","90","","90","","63.039","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Ti B0.024 O2","","- B0.024 O2 Ti -","- O2 Ti -","- O4 Ti2 -","2","0.125","","Li, C.; Bursill, L.A.; Grey, I.E.; MacRae, C.M.","Boron incorporation into rutile. Phase equilibria and structure considerations","Journal of Solid State Chemistry","1996","127","","240","247","10.1006/jssc.1996.0380","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1544347","16.314","0.002","8.115","0.003","5.265","0.009","90","","90","","90","","697","1.2","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","P2O5 ortho1, Arbib et al., JSSC127, 35","","","- O5 P2 -","- O5 P2 -","- O40 P16 -","8","0.5","","Arbib, E.H.; Elouadi, B.; Chaminade, J.P.; Darriet, J.","New refinement of the crystal structure of o-P2O5","Journal of Solid State Chemistry","1996","127","","350","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","187519","2020-10-21","18:00:00",""