# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T09:03:48+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 = 165 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
"1100052","15.3706","0.0002","8.9921","0.0001","5.9191","0.0001","90","","90","","90","","818.11","0.02","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Strontium Gallium Boron Oxide (1/1/1/4)","","- B Ga O4 Sr -","- B Ga O4 Sr -","- B8 Ga8 O32 Sr8 -","8","2","","Yang, Z; Liang, J; Chen, X; Chen, J","Ab intio structure determination of a new compound, beta-SrGaBO~4~,from powder diffraction data","Journal of Solid State Chemistry","2002","165","","119","124","10.1006/jssc.2001.9509","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509861","11.15827","","11.15827","","11.15827","","90","","90","","90","","1389.28","","","","","","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","K Ag3.925 I5","","- Ag3.925 I5 K -","- Ag3.9252 I5 K -","- Ag15.7008 I20 K4 -","4","0.166667","","Hull, S.; Sivia, D.S.; Keen, D.A.; Berastegui, P.","Crystal structures and ionic conductivities of ternary derivatives of the silver and copper monohalides I. Superionic phases of stoichiometry M A4 I5: Rb Ag4 I5, K Ag4 I5, and K Cu4 I5","Journal of Solid State Chemistry","2002","165","","363","371","10.1006/jssc.2002.9552","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510418","3.2206","","11.314","","11.2262","","90","","90","","90","","409.059","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au2 Hg P2 -","- Au2 Hg1.018 P2 -","- Au8 Hg4.072 P8 -","4","0.25","","Eschen, M.; Jeitschko, W.","Au2 Pb P2, Au2 Tl P2 and Au2 Hg P2: ternary gold polyphosphides with lead, thallium and mercury in the oxidation state zero","Journal of Solid State Chemistry","2002","165","","238","246","10.1006/jssc.2001.9497","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510454","3.2364","","11.3715","","11.2184","","90","","90","","90","","412.868","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Au2 Pb P2","","- Au2 P2 Pb -","- Au2 P2 Pb -","- Au8 P8 Pb4 -","4","0.25","","Eschen, M.; Jeitschko, W.","Au2 Pb P2, Au2 Tl P2 and Au2 Hg P2: ternary gold polyphosphides with lead, thallium and mercury in the oxidation state zero","Journal of Solid State Chemistry","2002","165","","238","246","10.1006/jssc.2001.9497","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510456","3.2407","","11.3607","","11.2215","","90","","90","","90","","413.138","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Au2 Tl P2","","- Au2 P2 Tl -","- Au2 P2 Tl0.977 -","- Au8 P8 Tl3.908 -","4","0.25","","Jeitschko, W.; Eschen, M.","Au2 Pb P2, Au2 Tl P2 and Au2 Hg P2: ternary gold polyphosphides with lead, thallium and mercury in the oxidation state zero","Journal of Solid State Chemistry","2002","165","","238","246","10.1006/jssc.2001.9497","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517672","5.9148","0.0001","5.9148","0.0001","3.496","0.0001","90","","90","","120","","105.921","0.004","","","","","","","","","","","","3","P -6","P -6","174","","Sodium Yttrium Fluoride (1.5/1.5/6)","","- F6 Na1.5 Y1.5 -","- F6 Na1.5 Y1.5 -","- F6 Na1.5 Y1.5 -","1","0.166667","","Grzechnik, A.; Bouvier, P.; Mezouar, M.; Mathews, M.D.; Tyagi, A.K.; Koehler, J.","Hexagonal Na(1.5) Y(1.5) F6 at high pressures","Journal of Solid State Chemistry","2002","165","","159","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517673","5.6128","0.0001","5.6128","0.0001","3.3366","0.0002","90","","90","","120","","91.032","0.006","","","","","","","","","","","","3","P -6","P -6","174","","Sodium Yttrium Fluoride (1.5/1.5/6)","","- F6 Na1.5 Y1.5 -","- F6 Na1.5 Y1.5 -","- F6 Na1.5 Y1.5 -","1","0.166667","","Grzechnik, A.; Bouvier, P.; Mezouar, M.; Mathews, M.D.; Tyagi, A.K.; Koehler, J.","Hexagonal Na(1.5) Y(1.5) F6 at high pressures","Journal of Solid State Chemistry","2002","165","","159","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517674","5.6142","0.0001","5.6142","0.0001","3.3367","0.0001","90","","90","","120","","91.08","0.004","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Sodium Yttrium Fluoride (1.5/1.5/6)","","- F6 Na1.5 Y1.5 -","- F6 Na1.5 Y1.5 -","- F6 Na1.5 Y1.5 -","1","0.0833333","","Grzechnik, A.; Bouvier, P.; Mezouar, M.; Mathews, M.D.; Tyagi, A.K.; Koehler, J.","Hexagonal Na(1.5) Y(1.5) F6 at high pressures","Journal of Solid State Chemistry","2002","165","","159","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517675","5.6022","0.0002","5.6022","0.0002","3.3295","0.0002","90","","90","","120","","90.495","0.007","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Sodium Yttrium Fluoride (1.5/1.5/6)","","- F6 Na1.5 Y1.5 -","- F6 Na1.5 Y1.5 -","- F6 Na1.5 Y1.5 -","1","0.0833333","","Grzechnik, A.; Bouvier, P.; Mezouar, M.; Mathews, M.D.; Tyagi, A.K.; Koehler, J.","Hexagonal Na(1.5) Y(1.5) F6 at high pressures","Journal of Solid State Chemistry","2002","165","","159","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1534448","9.336","","8.898","","4.912","","90","","90","","90","","408.048","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","V2 (Ge O4) F2","","- F2 Ge O4 V2 -","- F2 Ge O4 V2 -","- F8 Ge4 O16 V8 -","4","0.5","","Achary, S.N.; Tyagi, A.K.; Koehler, J.","Preparation, structure and properties of V2 Ge O4 F2 - chains of V O4 F2 octahedra in the first V(III) metallate fluoride","Journal of Solid State Chemistry","2002","165","","74","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534818","23.5637","","23.5637","","26.9055","","90","","90","","120","","12937.7","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","(N H4)21 (H3 Mo57 V6 (N O)6 O183 (H2 O)18) (H2 O)53","","- H229 Mo57 N27 O260 V6 -","- H201 Mo57 N27 O260 V6 -","- H402 Mo114 N54 O520 V12 -","2","0.0833333","","Lutz, H.D.; Nagel, R.; Mason, S.A.; Mueller, A.; Boegge, H.; Krickemeyer, E.","Single-crystal neutron structure analysis of (N H4)21 (H3 Mo57 V6 (N O)6 O183 (H2 O)18) * 53(H2 O)","Journal of Solid State Chemistry","2002","165","","199","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","161835","2020-10-21","18:00:00",""
"1534868","6.2628","","6.2628","","6.5546","","90","","90","","90","","257.089","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Fe Ga3 -","- Fe Ga3 -","- Fe4 Ga12 -","4","0.25","","Haeussermann, U.; Bostroem, M.; Bjoernaengen, T.; Viklund, P.; Rapp, O.","Fe Ga3 and Ru Ga3 - semiconducting iIntermetallic compounds","Journal of Solid State Chemistry","2002","165","","94","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534872","6.4729","","6.4729","","6.7062","","90","","90","","90","","280.979","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Ru Ga3","","- Ga3 Ru -","- Ga3 Ru -","- Ga12 Ru4 -","4","0.25","","Haeussermann, U.; Bostroem, M.; Viklund, P.; Rapp, O.; Bjoernaengen, T.","Fe Ga3 and Ru Ga3 - semiconducting iIntermetallic compounds","Journal of Solid State Chemistry","2002","165","","94","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536086","6.8343","","6.8343","","7.0922","","90","","90","","90","","331.26","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Co4 In12 -","- Co4 In12 -","- Co4 In12 -","1","0.0625","","Viklund, P.; Lidin, S.","Variations of the Fe Ga3 structure type in the systems Co In3-x Znx and Co Ga3-x Znx.","Journal of Solid State Chemistry","2002","165","","100","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536093","6.6975","","6.6975","","6.996","","90","","90","","90","","313.816","","","","","","","","","","","","","3","P 42/m","-P 4c","84","","","","- Co4 In9.08 Zn2.92 -","- Co4 In9.074 Zn2.926 -","- Co4 In9.074 Zn2.926 -","1","0.125","","Viklund, P.; Lidin, S.","Variations of the Fe Ga3 structure type in the systems Co In3-x Znx and Co Ga3-x Znx.","Journal of Solid State Chemistry","2002","165","","100","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536097","6.7255","","6.7255","","7.0087","","90","","90","","90","","317.02","","","","","","","","","","","","","3","P 42/m","-P 4c","84","","","","- Co4 In10 Zn2.066 -","- Co4 In9.934 Zn2.066 -","- Co4 In9.934 Zn2.066 -","1","0.125","","Viklund, P.; Lidin, S.","Variations of the Fe Ga3 structure type in the systems Co In3-x Znx and Co Ga3-x Znx.","Journal of Solid State Chemistry","2002","165","","100","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9012270","15.418","","5.905","","10.223","","90","","102.806","","90","","907.585","","","","293","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Letovicite","- H13 N3 O8 S2 -","- H13 N3 O8 S2 -","- H52 N12 O32 S8 -","4","0.5","","Friese, K.; Aroyo, M. I.; Schwalowsky, I.; Adiwidjaja, G.; Bismayer, U.","The disordered high-temperature structure of (NH4)3H(SO4)2 and its relationship to the room-temperature phase Locality: synthetic Sample: T = 293 K","Journal of Solid State Chemistry","2002","165","","136","147","10.1006/jssc.2002.9516","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:46",""
"9012271","5.9039","","5.9039","","22.536","","90","","90","","120","","680.276","","","","420","","","","","","","","Synthetic","4","R -3 m :H","-R 3 2""","166","","","","- H13 N3 O8 S2 -","- H12.9999 N3 O7.99998 S2 -","- H38.9998 N9 O23.9999 S6 -","3","0.0833333","","Friese, K.; Aroyo, M. I.; Schwalowsky, I.; Adiwidjaja, G.; Bismayer, U.","The disordered high-temperature structure of (NH4)3H(SO4)2 and its relationship to the room-temperature phase Locality: synthetic Sample: T = 420 K Note: high-temperature polymorph of letovicite","Journal of Solid State Chemistry","2002","165","","136","147","10.1006/jssc.2002.9516","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:46",""
"9012272","9.416","","9.416","","11.159","","90","","90","","90","","989.369","","","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- H5 In N O5 P -","- H5 In N O5 P -","- H40 In8 N8 O40 P8 -","8","1","","Mao, S. Y.; Li, M. R.; Huang, Y. X.; Mi, J. X.; Chen, H. H.; Wei, Z. B.; Zhao, J. T.","Hydrothermal synthesis and crystal structure of the first ammonium indium(III) phosphate NH4In(OH)PO4 with spiral chains of InO4(OH)2","Journal of Solid State Chemistry","2002","165","","209","213","10.1006/jssc.2001.9489","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""