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=67678 Help
TitleThe wodginite group. I. Structural crystallography.
AuthorsErcit, T.S.;Hawthorne, F.C.;Cerny, P.
ReferenceCanadian Mineralogist (1992) 30, 597-611
Link XRef SCOPUS SCIRUS Google
CompoundFe2.2 Li0.05 Mn2.14 Nb1.54 O32 Sn1.77 Ta7.38 Ti0.76 - [Wodginite, ferroan] Lithium mangnese iron tin titanium niobium tantalum oxide * [ABC2X8] [mS48] [f5 e2] []
Cell9.460(1), 11.421(2), 5.119(1), 90., 90.40(1), 90.
C12/C1 (15) V=553.06
RemarksR=0.065000 : DEF MIN =Wodginite, ferroan : MXD =Fe : PDF =29-901 :
Calculated density unusual but tolerable.
Columbite structure type
PDF 29-901, sample A-17

Atom (site) Oxid. x, y, z, B, Occupancy
Li1(4e)1
Mn1(4e)2
Fe1(4e)2
Fe2(4e)3
Ti1(4e)4
Sn1(4e)4
Nb1(4e)5
Ta1(4e)5
Mn2(4e)2
Fe3(4e)2
Fe4(4e)3
Ti2(4e)4
Sn2(4e)4
Nb2(4e)5
Ta2(4e)5
Li2(8f)1
Mn3(8f)2
Fe5(8f)2
Fe6(8f)3
Ti3(8f)4
Sn3(8f)4
Nb3(8f)5
Ta3(8f)5
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
00.6634(3)0.2500.01
00.6634(3)0.2500.4
00.6634(3)0.2500.305
00.6634(3)0.2500.0125
00.6634(3)0.2500.015
00.6634(3)0.2500.0375
00.6634(3)0.2500.0325
00.6634(3)0.2500.1575
00.1680(2)0.2500.045
00.1680(2)0.2500.035
00.1680(2)0.2500.1025
00.1680(2)0.2500.1425
00.1680(2)0.2500.33
00.1680(2)0.2500.0325
00.1680(2)0.2500.3075
0.2488(1)0.4143(1)0.2493(2)00.0013
0.2488(1)0.4143(1)0.2493(2)00.045
0.2488(1)0.4143(1)0.2493(2)00.035
0.2488(1)0.4143(1)0.2493(2)00.0113
0.2488(1)0.4143(1)0.2493(2)00.0163
0.2488(1)0.4143(1)0.2493(2)00.0375
0.2488(1)0.4143(1)0.2493(2)00.16
0.2488(1)0.4143(1)0.2493(2)00.69
0.133(2)0.056(2)0.082(3)01
0.143(2)0.446(1)0.571(3)01
0.120(2)0.305(1)0.098(3)01
0.115(2)0.185(1)0.583(3)01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Li1(4e)1
Mn1(4e)2
Fe1(4e)2
Fe2(4e)3
Ti1(4e)4
Sn1(4e)4
Nb1(4e)5
Ta1(4e)5
Mn2(4e)2
Fe3(4e)2
Fe4(4e)3
Ti2(4e)4
Sn2(4e)4
Nb2(4e)5
Ta2(4e)5
Li2(8f)1
Mn3(8f)2
Fe5(8f)2
Fe6(8f)3
Ti3(8f)4
Sn3(8f)4
Nb3(8f)5
Ta3(8f)5
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
0.0179(14)0.0202(15)0.0197(14)00.0004(10)0
0.0179(14)0.0202(15)0.0197(14)00.0004(10)0
0.0179(14)0.0202(15)0.0197(14)00.0004(10)0
0.0179(14)0.0202(15)0.0197(14)00.0004(10)0
0.0179(14)0.0202(15)0.0197(14)00.0004(10)0
0.0179(14)0.0202(15)0.0197(14)00.0004(10)0
0.0179(14)0.0202(15)0.0197(14)00.0004(10)0
0.0179(14)0.0202(15)0.0197(14)00.0004(10)0
0.0157(8)0.0161(8)0.0172(8)00.0008(6)0
0.0157(8)0.0161(8)0.0172(8)00.0008(6)0
0.0157(8)0.0161(8)0.0172(8)00.0008(6)0
0.0157(8)0.0161(8)0.0172(8)00.0008(6)0
0.0157(8)0.0161(8)0.0172(8)00.0008(6)0
0.0157(8)0.0161(8)0.0172(8)00.0008(6)0
0.0157(8)0.0161(8)0.0172(8)00.0008(6)0
0.0192(5)0.0200(5)0.0201(4)-.0005(3)0.0002(3)0.0000(4)
0.0192(5)0.0200(5)0.0201(4)-.0005(3)0.0002(3)0.0000(4)
0.0192(5)0.0200(5)0.0201(4)-.0005(3)0.0002(3)0.0000(4)
0.0192(5)0.0200(5)0.0201(4)-.0005(3)0.0002(3)0.0000(4)
0.0192(5)0.0200(5)0.0201(4)-.0005(3)0.0002(3)0.0000(4)
0.0192(5)0.0200(5)0.0201(4)-.0005(3)0.0002(3)0.0000(4)
0.0192(5)0.0200(5)0.0201(4)-.0005(3)0.0002(3)0.0000(4)
0.0192(5)0.0200(5)0.0201(4)-.0005(3)0.0002(3)0.0000(4)
0.0293(82)0.0250(74)0.0287(85)-.0029(63)0.0031(65)0.0053(62)
0.0271(77)0.0249(73)0.0225(76)0.0031(60)-.0066(59)-.0026(57)
0.0285(76)0.0189(70)0.0273(76)0.0022(56)-.0028(60)-.0024(57)
0.0220(68)0.0254(78)0.0301(76)0.0047(59)0.0000(57)-.0004(62)

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).