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=202164 Help
TitleBarian tomichite, Ba.5 (As2).5 Ti2 (V Fe)5 O13 (O H), its crystal structure and relationship to derbylite and tomichite.
AuthorsGrey, I.E.;Madsen, I.C.;Harris, D.C.
ReferenceAmerican Mineralogist (1987) 72, 201-208
Link XRef SCOPUS SCIRUS Google
Also: Mineralogical Magazine (1979) 43, 469-471
Link XRef SCOPUS SCIRUS Google
CompoundH1 As1 Fe1 O14 Ti3 V3 - [Tomichite] Trivanadium iron arseno(III)trititanate hydroxide [AB3C4X14] [mP46] [f9 e4] []
Cell7.119(3), 14.176(5), 4.992(2), 90., 105.05(1), 90.
P121/M1 (11) V=486.51
RemarksR=0.074000 : MIN =Tomichite : PDF =34-1401 : REF
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Calculated density unusual but tolerable.
Cell parameters from second reference

Atom (site) Oxid. x, y, z, B, Occupancy
Ti1(2e)4
V1(2e)3
Fe1(2e)3
Ti2(4f)4
V2(4f)3
Fe2(4f)3
Ti3(4f)4
V3(4f)3
Fe3(4f)3
Ti4(4f)4
V4(4f)3
Fe4(4f)3
As1(2e)3
O1(2e)-2
O2(4f)-2
O3(4f)-2
O4(4f)-2
O5(4f)-2
O6(4f)-2
O7(4f)-2
O8(2e)-2
H1(2e)1
0.4965(10)0.250.7453(14)0.35(6)0.6
0.4965(10)0.250.7453(14)0.35(6)0.3
0.4965(10)0.250.7453(14)0.35(6)0.1
0.5017(6)0.1289(2)0.2484(10)0.23(6)0.62
0.5017(6)0.1289(2)0.2484(10)0.23(6)0.285
0.5017(6)0.1289(2)0.2484(10)0.23(6)0.095
0.8171(5)0.0606(3)0.8736(8)0.10(7)0.3
0.8171(5)0.0606(3)0.8736(8)0.10(7)0.525
0.8171(5)0.0606(3)0.8736(8)0.10(7)0.175
0.8195(5)-.0620(3)0.3755(8)0.15(7)0.27
0.8195(5)-.0620(3)0.3755(8)0.15(7)0.55
0.8195(5)-.0620(3)0.3755(8)0.15(7)0.18
0.0789(5)0.250.0125(8)0.47(6)1
0.342(3)0.250.033(4)0.01(36)1
0.673(2)-.047(1)-.023(3)0.50(28)1
0.654(2)0.152(1)-.023(3)0.19(26)1
0.003(3)0.155(1)0.756(4)0.52(23)1
0.002(3)0.034(1)0.252(4)0.45(23)1
0.677(2)0.048(1)0.483(3)0.34(28)1
0.342(2)0.152(1)0.516(3)0.43(29)1
0.647(3)0.250.458(5)0.38(43)1.
01.

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).