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=62679 Help
TitleCharge densitiy in rutile, Ti O2..
AuthorsRestori, R.;Schwarzenbach, D.;Schneider, J.R.
ReferenceIC&volume=43&fpage=251&details=yes target=icsd_help>Acta Crystallographica B (1987) 43, 251-257
Link XRef SCOPUS Google
CompoundO2 Ti1 - [Rutile] Titanium dioxide [AX2] [tP6] [f a] [TiO2(tP6)]
Cell4.582(2), 4.582(2), 2.953(1), 90., 90., 90.
P42/MNM (136) V=62.
RemarksR=0.009700 : P =21-1276 : T =100 : =TiO2(tP6) : M =Rutile :
PDF 21-1276, also anharmonic Gram-Charlier expansion calculated

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).