# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-01T00:03:35+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 = 71 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
"1001344","14.584","0.002","8.416","0.001","14.18","0.001","90","","110.05","0.06","90","","1635","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Molybdenum(III) silicophosphate","","- Mo O11 P3 Si -","- Mo O11 P3 Si -","- Mo8 O88 P24 Si8 -","8","1","","Leclaire, A; Raveau, B","Mo P~3~ Si O~11~: A silicophosphate of molybdenum(III)","Journal of Solid State Chemistry","1987","71","","283","290","10.1016/0022-4596(87)90235-0","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001724","17.90999","0.002","7.48","0.002","17.06059","0.0009","90","","114.739","0.006","90","","2075.8","","","","","","","","","","","","","4","A 1 2/m 1","-A 2y","12","","Barium diphosphate 32-tungstate","","- Ba2 O112 P8 W32 -","- Ba2 O112 P8 W32 -","- Ba2 O112 P8 W32 -","1","0.125","","Lamire, M; Labbe, P; Goreaud, M; Raveau, B","Ba2 P8 W32 O112: Structural study in comparison with the K and Rb diphosphate tungsten bronzes with hexagonal tunnels","Journal of Solid State Chemistry","1987","71","","342","348","10.1016/0022-4596(87)90241-6","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001745","8.771","0.014","10.16","0.02","3.784","0.003","90","","90","","90","","337.2","","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Sodium triniobate","","- Na Nb3 O8 -","- Na Nb3 O8 -","- Na2 Nb6 O16 -","2","0.25","","Nedjar, R; Borel, M M; Leclaire, A; Raveau, B","The sodium niobate Na Nb3 O8: A novel lamellar oxide synthesized by soft chemistry","Journal of Solid State Chemistry","1987","71","","182","188","10.1016/0022-4596(87)90157-5","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004081","13.957","0.004","13.858","0.004","7.095","0.002","90","","112.8","0.03","90","","1265.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tripotassium dibismuth vanadate","","- Bi2 K3 O12 V3 -","- Bi2 K3 O12 V3 -","- Bi8 K12 O48 V12 -","4","0.5","","Debreuille-Gresse, M F; Abraham, F","Crystal structure and electrical properties of K~3~ Bi~2~ (V O~4~)~3~, a new potassium bismuth vanadate","Journal of Solid State Chemistry","1987","71","","466","471","10.1016/0022-4596(87)90256-8","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007161","7.709","0.004","5.663","0.004","9.972","0.005","90","","90","","90","","435.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium barium phosphate","","- Ba K O4 P -","- Ba K O4 P -","- Ba4 K4 O16 P4 -","4","0.5","","Masse, R; Durif, A","Chemical preparation and crystal structure refinement of K Ba P O~4~ monophosphate","Journal of Solid State Chemistry","1987","71","","574","576","10.1016/0022-4596(87)90270-2","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509397","3.2768","","3.2768","","18.8779","","90","","90","","120","","175.543","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ag In O2 -","- Ag In O2 -","- Ag3 In3 O6 -","3","0.0833333","","Koehler, B.U.; Jansen, M.","Synthesis and crystal structure of Ag In O2","Journal of Solid State Chemistry","1987","71","","566","569","10.1016/0022-4596(87)90268-4","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509466","23.05","","4.831","","22.935","","90","","90.42","","90","","2553.85","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Ag (Mo5 P8 O33)","","- Ag Mo5 O33 P8 -","- Ag Mo5 O33 P8 -","- Ag4 Mo20 O132 P32 -","4","0.5","","Goshorn, D.P.; Lii, K.-H.; Johnston, D.C.; Haushalter, R.C.","Crystal structure and magnetic properties of a new molybdenophosphate: Ag Mo5 P8 O33","Journal of Solid State Chemistry","1987","71","","131","138","10.1016/0022-4596(87)90151-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511227","4.6435","","4.6435","","5.2592","","90","","90","","90","","113.399","","","","","","","","","","","","","3","P 42 21 2","P 4n 2n","94","","Li3 (B N2)","","- B Li3 N2 -","- B Li3 N2 -","- B2 Li6 N4 -","2","0.25","","Koizumi, M.; Yamane, H.; Kikkawa, S.","High- and low-temperature phases of lithium boron nitride, Li3 B N2: Preparation, phase relation, crystal structure, and ionic conductivity","Journal of Solid State Chemistry","1987","71","","1","11","10.1016/0022-4596(87)90135-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1529756","7.3233","","5.7745","","11.4124","","90","","90","","90","","482.612","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba2 Re O5","","- Ba2 O5 Re -","- Ba2 O5 Re -","- Ba8 O20 Re4 -","4","0.5","","Cheetham, A.K.; Thomas, D.M.","An investigation of the low oxidation state chemistry of rhenium in the Ba O - Re - Re2 O7 phase diagram","Journal of Solid State Chemistry","1987","71","","61","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529917","6.876","","24.109","","26.411","","90","","106.04","","90","","4207.79","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ta2 (P2 S11)","","- P2 S11 Ta2 -","- P2 S11 Ta2 -","- P20 S110 Ta20 -","10","2.5","","Evain, M.; Lee, S.; Queignec, M.; Brec, R.","Multiple empty tunnels in a new Ta-P-S phase: Synthesis and structure determination of Ta2 P2 S11","Journal of Solid State Chemistry","1987","71","","139","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","154829","2020-10-21","18:00:00",""
"1529971","7.64","","8.909","","7.654","","109.42","","95.75","","119.19","","406.576","","","","","","","","","","","","","4","P -1","-P 1","2","","K2 Mo2 O7 (H2 O)","","- H2 K2 Mo2 O8 -","- K2 Mo2 O8 -","- K4 Mo4 O16 -","2","1","","Gatehouse, B.M.; Jozsa, A.J.","The crystal structure of potassium dimolybdate hydrate","Journal of Solid State Chemistry","1987","71","","34","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","154912","2020-10-21","18:00:00",""
"1529972","16.1","","8.947","","10.173","","90","","114.39","","90","","1334.61","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ba3 V4 O13","","- Ba3 O13 V4 -","- Ba3 O13 V4 -","- Ba12 O52 V16 -","4","0.5","","Gatehouse, B.M.; Guddat, L.W.; Roth, R.S.","The crystal structure of Ba3 V4 O13","Journal of Solid State Chemistry","1987","71","","390","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","154913","2020-10-21","18:00:00",""
"1530091","5.3006","","5.3006","","5.3792","","90","","90","","120","","130.888","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Pb (Sb2 O6)","","- O6 Pb Sb2 -","- O6 Pb Sb2 -","- O6 Pb Sb2 -","1","0.0833333","","Hill, R.J.","Structure of Pb Sb2 O6 and its relationship to the crystal chemistry of Pb O2 in antimonial lead-acid batteries","Journal of Solid State Chemistry","1987","71","","12","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530094","12.908","","12.908","","24.82","","90","","90","","120","","3581.38","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sr9 Nd5 Cl33","","- Cl33 Nd5 Sr9 -","- Cl33.002 Nd5.034 Sr8.964 -","- Cl99.006 Nd15.102 Sr26.892 -","3","0.166667","","Hodorowicz, S.A.; Olejak-Chodan, M.; Eick, H.A.","A preparatory and X-ray diffraction study of the Sr Cl2 Nd Cl3 system","Journal of Solid State Chemistry","1987","71","","205","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","155066","2020-10-21","18:00:00",""
"1530129","10.2584","","10.2584","","10.2584","","90","","90","","90","","1079.54","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li6 Co Cl8","","- Cl8 Co Li6 -","- Cl8 Co Li6 -","- Cl32 Co4 Li24 -","4","0.0208333","","Kanno, R.; Yamamoto, O.; Takahashi, A.; Takeda, Y.; Koizumi, M.; Suyama, R.","New double chloride in the Li Cl - Co Cl2 system I. Preparation, crystal structure, phase transformation and ionic conductivity of Li6 Co Cl8","Journal of Solid State Chemistry","1987","71","","189","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530302","5.2512","","5.6571","","7.5337","","90","","90","","90","","223.8","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Y Co.675 Pt.325 O3","","- Co0.675 O3 Pt0.325 Y -","- Co0.675 O3 Pt0.325 Y -","- Co2.7 O12 Pt1.3 Y4 -","4","0.5","","Liu, X.; Prewitt, C.T.","Crystallographic study of Y Co(III)1-2x Co(II)x Pt(IV)x O3 and Dy Co(III)1-2x Co(II)x Pt(IV)x O3","Journal of Solid State Chemistry","1987","71","","371","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530303","5.2627","","5.6447","","7.5396","","90","","90","","90","","223.974","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Dy Co.679 Pt.321 O3","","- Co0.679 Dy O3 Pt0.321 -","- Co0.679 Dy O3 Pt0.321 -","- Co2.716 Dy4 O12 Pt1.284 -","4","0.5","","Liu, X.; Prewitt, C.T.","Crystallographic study of Y Co(III)1-2x Co(II)x Pt(IV)x O3 and Dy Co(III)1-2x Co(II)x Pt(IV)x O3","Journal of Solid State Chemistry","1987","71","","371","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530560","10.016","","4.948","","7.408","","90","","112.19","","90","","339.943","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Li2 Mn F5","","- F5 Li2 Mn -","- F5 Li2 Mn -","- F20 Li8 Mn4 -","4","0.5","","Pebler, J.; Massa, W.; Lass, H.; Ziegler, B.","Interchain exchange energies in 1-dimensional magnetic fluoromanganates(III) as a function of Mn-F-Mn bridge angle and crystal structure of Li2 Mn F5","Journal of Solid State Chemistry","1987","71","","87","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530570","5.214","","9.108","","5.965","","90","","95.06","","90","","282.169","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cu Te O3","","- Cu O3 Te -","- Cu O3 Te -","- Cu4 O12 Te4 -","4","1","","Pertlik, F.","Dimorphism of hydrothermal synthesized copper tellurite Cu Te O3: The structure of a monoclinic representative","Journal of Solid State Chemistry","1987","71","","291","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530585","12.3742","","8.867","","8.951","","90","","90","","90","","982.122","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Zr2 (P O4)2 (S O4)","","- O12 P2 S Zr2 -","- O12 P2.01 S0.99 Zr2 -","- O48 P8.04 S3.96 Zr8 -","4","0.5","","Piffard, Y.; Verbaere, A.; Kinoshita, M.","beta- Zr2 (P O4)2 (S O4): A zirconium phosphato-sulfate with a Sc2 (W O4)3 structure. A comparison between garnet, Nasicon and Sc2 (W O4)3 structure types","Journal of Solid State Chemistry","1987","71","","121","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530916","5.856","","5.856","","35.34","","90","","90","","120","","1049.54","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","K1.52 Na.18 Ga10.82 O17","","- Ga10.82 K1.52 Na0.18 O17 -","- Ga10.82 K1.52 Na0.18 O17 -","- Ga32.46 K4.56 Na0.54 O51 -","3","0.0833333","","Tsurumi, T.; Udagawa, S.; Ikawa, H.; Nishimura, T.; Urabe, K.","Crystal structure and charge compensation mechanism of beta prime prime -alumina type R+ -gallate (R=K+, (N H4)+)","Journal of Solid State Chemistry","1987","71","","154","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","156149","2020-10-21","18:00:00",""
"1530917","5.836","","5.836","","35.57","","90","","90","","120","","1049.17","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(N H4)1.6 Ga10.76 O17.39","","- Ga10.76 H6.4 N1.6 O17.39 -","- Ga10.76 N1.6 O17.39 -","- Ga32.28 N4.8 O52.17 -","3","0.0833333","","Tsurumi, T.; Urabe, K.; Ikawa, H.; Nishimura, T.; Udagawa, S.","Crystal structure and charge compensation mechanism of beta prime prime -alumina type R+ -gallate (R=K+, (N H4)+)","Journal of Solid State Chemistry","1987","71","","154","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539808","5.0543","","10.407","","11.069","","90","","91.14","","90","","582.115","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Fe P4 -","- Fe P4 -","- Fe8 P32 -","8","1","","Evain, M.; Brec, R.; Fiechter, S.; Tributsch, H.","Crystal structure of a new Fe P4 modification","Journal of Solid State Chemistry","1987","71","","40","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""