# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-22T02:25:50+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 'Kristallografiya') AND volume = 54 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
"1528349","11.322","","27.182","","6.565","","90","","90","","94.66","","2013.73","","","","","","","","","","","","","6","B 1 1 2/b","-B 2b","15","","Sr (Na0.4 Sr0.1) Na2 (B5 O8 (O H)2) (C O3)0.8","","- C0.8 H2 B5 Na2.4 O12.4 Sr1.1 -","- C0.8 B5 Na2.4 O12.4 Sr1.1 -","- C6.4 B40 Na19.2 O99.2 Sr8.8 -","8","1","","Belokoneva, E.L.; Dimitrova, O.V.; Mochenova, N.N.","Synthetic Na,Sr-carbonatoborate with a new type of pentaborate layer: The OD nature of the structure and its correlation with volkovskite, veatchites, and hilgardites","Kristallografiya","2009","54","","13","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528530","6.036","","6.036","","6.036","","90","","90","","90","","219.911","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ba0.75 Er0.25 F2.25 -","- Ba0.75 Er0.2504 F2.25016 -","- Ba0.75 Er0.2504 F2.25016 -","1","0.00520833","","Golubev, A.M.; Sobolev, B.P.; Molchanov, V.N.; Fykin, L.E.; Otroshchenko, L.P.","Displacements in the cationic motif of nonstoichiometric fluorite phases Ba(1-x) R(x) F(2+x) as a result of the formation of {Ba8 [R6 F(68-69)]} clusters: II. The Ba(1-x) R(x) F(2+x) (R = Er, Yb, Lu; 0.1 < x < 0.3) crystals","Kristallografiya","2009","54","","456","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528531","6.076","","6.076","","6.076","","90","","90","","90","","224.312","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ba0.835 Yb0.165 F2.165","","- Ba0.835 F2.165 Yb0.165 -","- Ba0.835 F2.16002 Yb0.165 -","- Ba0.835 F2.16002 Yb0.165 -","1","0.00520833","","Golubev, A.M.; Otroshchenko, L.P.; Fykin, L.E.; Molchanov, V.N.; Sobolev, B.P.","Displacements in the cationic motif of nonstoichiometric fluorite phases Ba(1-x) R(x) F(2+x) as a result of the formation of {Ba8 [R6 F(68-69)]} clusters: II. The Ba(1-x) R(x) F(2+x) (R = Er, Yb, Lu; 0.1 < x < 0.3) crystals","Kristallografiya","2009","54","","456","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","150918","2020-10-21","18:00:00",""
"1528532","6.1061","","6.1061","","6.1061","","90","","90","","90","","227.663","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ba0.9 Lu0.1 F2.1","","- Ba0.9 F2.1 Lu0.1 -","- Ba0.9 F2.1 Lu0.1 -","- Ba0.9 F2.1 Lu0.1 -","1","0.00520833","","Golubev, A.M.; Otroshchenko, L.P.; Molchanov, V.N.; Sobolev, B.P.; Fykin, L.E.","Displacements in the cationic motif of nonstoichiometric fluorite phases Ba(1-x) R(x) F(2+x) as a result of the formation of {Ba8 [R6 F(68-69)]} clusters: II. The Ba(1-x) R(x) F(2+x) (R = Er, Yb, Lu; 0.1 < x < 0.3) crystals","Kristallografiya","2009","54","","456","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","150919","2020-10-21","18:00:00",""
"1528533","6.0516","","6.0516","","6.0516","","90","","90","","90","","221.621","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ba0.818 Lu0.182 F2.182","","- Ba0.818 F2.182 Lu0.182 -","- Ba0.818 F2.18 Lu0.182 -","- Ba0.818 F2.18 Lu0.182 -","1","0.00520833","","Golubev, A.M.; Sobolev, B.P.; Molchanov, V.N.; Otroshchenko, L.P.; Fykin, L.E.","Displacements in the cationic motif of nonstoichiometric fluorite phases Ba(1-x) R(x) F(2+x) as a result of the formation of {Ba8 [R6 F(68-69)]} clusters: II. The Ba(1-x) R(x) F(2+x) (R = Er, Yb, Lu; 0.1 < x < 0.3) crystals","Kristallografiya","2009","54","","456","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","150920","2020-10-21","18:00:00",""
"1528734","9.606","","9.606","","9.279","","90","","90","","120","","741.51","","","","","","","","","","","","","9","P 6/m c c","-P 6 2c","192","","(Na0.09 K0.05) (Mg1.68 Cr0.15 Cr0.03 Ti0.01 Al0.13) (Be1.05 Al1.95) (Al0.30 Si5.70) O18","","- Al2.38 Be1.05 Cr0.18 K0.05 Mg1.68 Na0.09 O18 Si5.7 Ti0.01 -","- Al2.38 Be1.05 Cr0.18 K0.05 Mg1.68 Na0.09 O18 Si5.7 Ti0.01 -","- Al4.76 Be2.1 Cr0.36 K0.1 Mg3.36 Na0.18 O36 Si11.4 Ti0.02 -","2","0.0833333","","Mikhailov, M.A.; Rozhdestvenskaya, I.V.; Bannova, I.I.; Demina, T.V.; Matveeva, L.M.","Structural features and isomorphous substitutions in chromium- and magnesium-containing beryls and chromium-containing beryllian indialite grown by the flux method","Kristallografiya","2009","54","","231","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528735","9.28","","9.28","","9.198","","90","","90","","120","","685.993","","","","","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","(Al1.18 Cr0.52 Mg0.3) (Be2.70 Al0.30) Si6 O18","","- Al1.48 Be2.7 Cr0.52 Mg0.3 O18 Si6 -","- Al1.48 Be2.7 Cr0.52 Mg0.3 O18 Si6 -","- Al2.96 Be5.4 Cr1.04 Mg0.6 O36 Si12 -","2","0.0833333","","Mikhailov, M.A.; Rozhdestvenskaya, I.V.; Demina, T.V.; Bannova, I.I.; Matveeva, L.M.","Structural features and isomorphous substitutions in chromium- and magnesium-containing beryls and chromium-containing beryllian indialite grown by the flux method","Kristallografiya","2009","54","","231","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","151352","2020-10-21","18:00:00",""
"1528736","9.263","","9.263","","9.199","","90","","90","","120","","683.557","","","","","","","","","","","","","7","P 6/m c c","-P 6 2c","192","","K0.08 (Al1.48 Mg0.32 Cr0.20) (Be2.76 Al0.24) Si6 O18","","- Al1.72 Be2.76 Cr0.2 K0.08 Mg0.32 O18 Si6 -","- Al1.72 Be2.76 Cr0.2 K0.08 Mg0.32 O18 Si6 -","- Al3.44 Be5.52 Cr0.4 K0.16 Mg0.64 O36 Si12 -","2","0.0833333","","Mikhailov, M.A.; Rozhdestvenskaya, I.V.; Demina, T.V.; Matveeva, L.M.; Bannova, I.I.","Structural features and isomorphous substitutions in chromium- and magnesium-containing beryls and chromium-containing beryllian indialite grown by the flux method","Kristallografiya","2009","54","","231","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","151353","2020-10-21","18:00:00",""
"1528813","12.847","","12.847","","26.461","","90","","90","","120","","3782.16","","","","","","","","","","","","","9","P 3","P 3","143","","(Ca0.5 Na0.5)24 K10 (Si0.5 Al0.5)60 O120 (S O4)5.6 Cl1.5 (C O3)0.4 (H2 O)11","","- C0.36 Al30 Ca11.415 Cl1.56 K9.789 Na18.423 O154.74 S5.45 Si30 -","- C0.36 Al30 Ca11.415 Cl1.56 K9.789 Na18.423 O154.74 S5.45 Si30 -","- C0.36 Al30 Ca11.415 Cl1.56 K9.789 Na18.423 O154.74 S5.45 Si30 -","1","0.333333","","Rastsvetaeva, R.K.; Chukanov, N.V.; Ivanova, A.G.","Crystal structure of a new ten-layer feldspathoid of the cancrinite group","Kristallografiya","2009","54","","223","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528832","14.226","","14.226","","30.339","","90","","90","","120","","5317.38","","","","","","","","","","","","","14","R -3 m :H","-R 3 2""","166","","Na5.73 Sr0.2 K0.03 Ca1.3 Ce0.1 Mn0.38 Ti0.07 Nb0.07 Zr Fe0.25 (Si24.37 O72) O1.09 Cl2.17 H35.82","","- Ca1.3 Ce0.1 Cl2.17 Fe0.25 H35.82 K0.03 Mn0.38 Na5.73 Nb0.07 O73.09 Si24.37 Sr0.2 Ti0.07 Zr -","- Ca1.3002 Ce0.10002 Cl2.16666 Fe0.24999 H0.6666 K0.03336 Mn0.3798 Na5.72664 Nb0.06666 O79.4867 Si24.3733 Sr0.19998 Ti0.06666 Zr0.99996 -","- Ca3.9006 Ce0.30006 Cl6.49998 Fe0.74997 H1.9998 K0.10008 Mn1.1394 Na17.1799 Nb0.19998 O238.46 Si73.12 Sr0.59994 Ti0.19998 Zr2.99988 -","3","0.0833333","","Rozenberg, K.A.; Rastsvetaeva, R.K.; Verin, I.A.","Crystal structure of centrosymmetric 12-layer sodium-rich eudialyte","Kristallografiya","2009","54","","446","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528863","14.929","","7.28","","15.3165","","90","","109.188","","90","","1572.17","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","K8 ((U O2)2 (C2 O4)2 (Se O4)4) (H2 O )2","","- C4 H4 K8 O30 Se4 U2 -","- C4 H4 K8 O30 Se4 U2 -","- C8 H8 K16 O60 Se8 U4 -","2","0.5","","Serezhkina, L.B.; Verevkin, A.G.; Peresypkina, E.V.; Virovets, A.; Pushkin, D.V.","Synthesis and x-ray structural investigation of K8 [(U O2) (C2 O4)2 (Se O4)4] * 2 H2 O","Kristallografiya","2009","54","","68","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528882","10.0905","","10.0905","","10.0905","","90","","90","","90","","1027.4","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Yb2 (Ti2 O7)","","- O7 Ti2 Yb2 -","- O7 Ti2 Yb2 -","- O56 Ti16 Yb16 -","8","0.0416667","","Shlyakhtina, A.V.; Levchenko, A.V.; Sokolov, A.E.; Ul'yanov, V.A.; Trunov, V.A.; Boguslavskii, M.V.; Shcherbakova, L.G.","Neutron diffraction investigation of the evolution of the crystal structure of oxygen-conducting solid solutions (Yb(1-x) Ca(x))2 Ti2 O7 (x = 0, 0.05, 0.10)","Kristallografiya","2009","54","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","151635","2020-10-21","18:00:00",""
"1528883","10.0958","","10.0958","","10.0958","","90","","90","","90","","1029.02","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Yb0.95 Ca0.05)2 (Ti2 O7)","","- Ca0.1 O7 Ti2 Yb1.9 -","- Ca0.1 O6.93 Ti2 Yb1.92 -","- Ca0.8 O55.44 Ti16 Yb15.36 -","8","0.0416667","","Shlyakhtina, A.V.; Trunov, V.A.; Sokolov, A.E.; Levchenko, A.V.; Ul'yanov, V.A.; Boguslavskii, M.V.; Shcherbakova, L.G.","Neutron diffraction investigation of the evolution of the crystal structure of oxygen-conducting solid solutions (Yb(1-x) Ca(x))2 Ti2 O7 (x = 0, 0.05, 0.10)","Kristallografiya","2009","54","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","151636","2020-10-21","18:00:00",""
"1528904","10.615","","10.615","","19.547","","90","","90","","120","","1907.44","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sr4 Lu3 F17","","- F17 Lu3 Sr4 -","- F17.0001 Lu3 Sr4 -","- F102.001 Lu18 Sr24 -","6","0.333333","","Sul'yanova, E.A.; Molchanov, V.N.; Sobolev, B.P.; Sul'yanov, S.N.; Verin, I.A.","Nanostructured crystals of the fluorite phases Sr(1-x) R(x) F(2+x) (R = rare-earth elements) and their ordering: II. Crystal structure of the ordered Sr4 Lu3 F17 phase","Kristallografiya","2009","54","","554","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","151719","2020-10-21","18:00:00",""
"1528940","19.7711","","33.8821","","29.8685","","90","","90","","90","","20008.5","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","(C60 Cl5)2 (C60 Cl6) (Br2)0.59","","- C180 Br1.18 Cl16 -","- C180 Br1.182 Cl16 -","- C1440 Br9.456 Cl128 -","8","","","Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E.","Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br)","Kristallografiya","2009","54","","268","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","151792","2020-10-21","18:00:00",""
"1528941","17.1965","","39.918","","19.5617","","90","","90","","90","","13428.1","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C60 Cl6 -","- C60 Cl6 -","- C960 Cl96 -","16","2","","Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E.","Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br)","Kristallografiya","2009","54","","268","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528942","17.226","","40.0522","","19.6088","","90","","90","","90","","13528.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C60 Br0.85 Cl5.15 -","- C60 Br0.85 Cl5.15 -","- C960 Br13.6 Cl82.4 -","16","2","","Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E.","Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br)","Kristallografiya","2009","54","","268","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528943","15.5012","","16.0964","","16.8926","","90","","92.3388","","90","","4211.42","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C60 Br4 Cl4 (Ti Cl4)","","- C60 Br4 Cl8 Ti -","- C60 Br3.989 Cl8 Ti -","- C240 Br15.956 Cl32 Ti4 -","4","1","","Troyanov, S.I.; Kemnitz, E.; Burtsev, A.V.","Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br)","Kristallografiya","2009","54","","268","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528944","12.82","","12.82","","32.27","","90","","90","","120","","4593.1","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","C60 Br13.42 Cl10.58 (Ti Cl4)","","- C60 Br13.42 Cl14.58 Ti -","- C60 Br13.404 Cl14.68 Ti -","- C180 Br40.212 Cl44.04 Ti3 -","3","0.166667","","Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E.","Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br)","Kristallografiya","2009","54","","268","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529014","9.2102","","9.2102","","9.2179","","90","","90","","120","","677.175","","","","","","","","","","","","","7","P 6/m c c","-P 6 2c","192","","Cs0.08 Na0.42 (H2 O)0.18 (Al2 (Be2.35 Li0.65) Si6 O18)","","- Al2 Be2.34 Cs0.079 Li0.66 Na0.419 O24.19 Si6 -","- Al2 Be2.34 Cs0.079 Li0.66 Na0.419 O24.19 Si6 -","- Al4 Be4.68 Cs0.158 Li1.32 Na0.838 O48.38 Si12 -","2","0.0833333","","Yakubovich, O.V.; Pekov, I.V.; Steele, I.M.; Massa, W.; Chukanov, N.V.","Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite","Kristallografiya","2009","54","","432","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","151933","2020-10-21","18:00:00",""