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=31326 Help
TitleX-Ray charge density study of rutile (Ti O2).
AuthorsGonschorek, W.
ReferenceZeitschrift fuer Kristallographie (1982) 160, 187-203
Link XRef SCOPUS Google
CompoundO2 Ti1 - [Rutile] Titanium oxide [AX2] [tP6] [f a] [TiO2(tP6)]
Cell4.5937, 4.5937, 2.9587, 90., 90., 90.
P42/MNM (136) V=62.43
RemarksR=0.020000 : P =21-1276 : T =TiO2(tP6) : M =Rutile :
PDF 21-1276, with refined multipole parameters, all 249 data

Atom (site) Oxid. x, y, z, B, Occupancy
Ti1(2a)4
O1(4f)-2
00001
0.300.30001
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ti1(2a)4
O1(4f)-2
0.000.000.00-.0000
0.000.000.00-.0000

Demo database


Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2018 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).