Warning: Compilation failed: nothing to repeat at offset 0 in /srv/www/htdocs/icsd/dbconfig.php on line 84

Warning: Compilation failed: nothing to repeat at offset 0 in /srv/www/htdocs/icsd/dbconfig.php on line 85
ICSD for WWW : Details

ICSD for WWW

Details of the selected entries


1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=50654 Help
TitleCharacterization of ternary compounds in the Ba O:Fe2 O3 :TiO2 system: Ba6 Fe45 Ti17 O106 and Ba Fe11 Ti3 O23.
AuthorsVanderah, T.A.;Wong-Ng, W.;Toby, B.H.;Browning, V.M.;Shull, R.D.;Geyer, R.G.;Roth, R.S.
ReferenceJournal of Solid State Chemistry (1999) 143, 182-197
Link XRef SCOPUS SCIRUS Google
CompoundBa1 Fe11.04 O23 Ti2.96 - Barium iron titanium oxide (1/11.04/2.96/23) [AB14X23] [mS152] [f17 e3 b] []
Cell19.5610(10), 8.6614(7), 10.120(1), 90., 105.62(1), 90.
C12/C1 (15) V=1651.27
RemarksR=0.055000 : TEM =298 :

Atom (site) Oxid. x, y, z, B, Occupancy
Ba1(4e)2
Fe1(8f)2.913
Ti1(8f)4
Fe2(8f)2.913
Ti2(8f)4
Fe3(8f)2.913
Ti3(8f)4
Fe4(8f)2.913
Ti4(8f)4
Fe5(8f)2.913
Ti5(8f)4
Fe6(8f)2.913
Ti6(8f)4
Fe7(8f)2.913
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
O6(8f)-2
O7(8f)-2
O8(8f)-2
O9(8f)-2
O10(4e)-2
O11(4e)-2
O12(4b)-2
O13(8f)-2
00.32589(6)0.2501
0.06483(5)0.0064(1)0.44697(9)00.65(2)
0.06483(5)0.0064(1)0.44697(9)00.35(2)
-.06677(5)0.6368(1)0.03491(9)00.72(3)
-.06677(5)0.6368(1)0.03491(9)00.28(3)
-.06724(5)0.8182(1)0.30542(9)00.63(3)
-.06724(5)0.8182(1)0.30542(9)00.37(3)
0.31749(4)0.0009(1)0.22908(8)00.91(3)
0.31749(4)0.0009(1)0.22908(8)00.09(3)
0.17535(5)0.1533(1)0.24214(9)00.77(3)
0.17535(5)0.1533(1)0.24214(9)00.23(3)
0.18065(4)0.3123(1)0.51944(8)00.84(3)
0.18065(4)0.3123(1)0.51944(8)00.16(3)
0.28509(5)0.3493(1)0.0746(1)01
0.2370(2)0.3234(5)0.3768(4)0.0051(7)1
0.1254(2)0.1586(5)0.3944(4)0.0067(7)1
0.2453(2)0.1553(5)0.1242(4)0.0059(7)1
-.1307(2)0.6705(5)0.3424(4)0.0062(7)1
-.1257(2)0.4902(5)0.0961(4)0.0058(7)1
-.1160(2)0.8234(5)0.1043(4)0.0046(7)1
0.2540(2)0.0204(5)0.3588(4)0.0062(7)1
0.1242(2)0.3349(5)0.1516(4)0.0053(7)1
0.0010(2)0.1666(5)0.5099(4)0.0073(7)1
00.6693(7)0.250.008(1)1
0-.0176(7)0.250.007(1)1
00.50.50.008(1)1
0.1191(2)0.0071(5)0.649(4)0.0068(7)1
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ba1(4e)2
Fe1(8f)2.913
Ti1(8f)4
Fe2(8f)2.913
Ti2(8f)4
Fe3(8f)2.913
Ti3(8f)4
Fe4(8f)2.913
Ti4(8f)4
Fe5(8f)2.913
Ti5(8f)4
Fe6(8f)2.913
Ti6(8f)4
Fe7(8f)2.913
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
O6(8f)-2
O7(8f)-2
O8(8f)-2
O9(8f)-2
O10(4e)-2
O11(4e)-2
O12(4b)-2
O13(8f)-2
0.0046(2)0.0150(3)0.0093(2)00.0037(2)0
0.0063(4)0.0060(4)0.0074(4)-.0008(3)0.0034(3)-.0005(3)
0.0063(4)0.0060(4)0.0074(4)-.0008(3)0.0034(3)-.0005(3)
0.0051(4)0.0060(4)0.0068(4)0.0007(3)0.0034(3)-.0003(3)
0.0051(4)0.0060(4)0.0068(4)0.0007(3)0.0034(3)-.0003(3)
0.0046(4)0.0075(4)0.0073(4)-.0006(3)0.0025(3)-.0004(3)
0.0046(4)0.0075(4)0.0073(4)-.0006(3)0.0025(3)-.0004(3)
0.0044(4)0.0053(4)0.0062(4)0.0008(2)0.0022(3)-.0008(3)
0.0044(4)0.0053(4)0.0062(4)0.0008(2)0.0022(3)-.0008(3)
0.0030(4)0.0048(4)0.0070(4)0.0000(3)0.0014(3)0.0003(3)
0.0030(4)0.0048(4)0.0070(4)0.0000(3)0.0014(3)0.0003(3)
0.0027(3)0.0083(4)0.0048(4)-.0003(3)0.0020(3)-.0010(3)
0.0027(3)0.0083(4)0.0048(4)-.0003(3)0.0020(3)-.0010(3)
0.0105(4)0.0140(4)0.0149(4)0.0039(3)0.0071(3)0.0029(3)
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000

Current PHP version: 4.3.8 - Current MySQL version: 4.0.21
Demo database
(The Full database will be used, if you are licensed, after the first query is entered)

Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2015 by Fachinformationszentrum (FIZ) Karlsruhe
The PHP-mySQL WWW interface is copyright © 2003-2015 by Peter Hewat
The 3D crystal structure visualisation software, xtal-3d is copyright © 1994-2015 by Marcus Hewat
The PHP-JMOL drawing software is copyright © 2006-2015 by Alan Hewat
Please report technical problems with ICSD for WWW to alan.hewat[a]neutronoptics.com (Alan Hewat).