Sc2TiO5, an entropy-stabilized pseudobrookite-type compound
- Author(s)
- Uwe Kolitsch, Ekkehart Tillmanns
- Abstract
Discandium(III) titanate(IV), Sc2TiO5, prepared by the flux method, has a pseudobrookite-type structure. The Sc and Ti atoms are partially disordered on the two octahedrally coordinated metal (M) sites (Wyckoff designations 8f and 4c in space group Cmcm). The most probable cation distribution suggests the approximate structural formula [8f](Sc 0.6,Ti0.4)2[4c](Sc 0.8Ti0.2)O5 in agreement with earlier observations of a preference of Ti for the more distorted 8f site in isotypic AIII2BIVO5 compounds. The average M-O bond lengths for the 8f and 4c sites are 2.059 and 2.095 A°, respectively. The strongly distorted octahedra share edges to form trioctahedral units, which are linked into infinite double chains along c. Further sharing of octahedral edges results in a three-dimensional framework. All atoms are on special positions. An Al-bearing variety of Sc2TiO5 has Al preferentially incorporated on the 4c site. Œ 2003 International Union of Crystallography Printed in Great Britain - all rights reserved.
- Organisation(s)
- Department of Mineralogy and Crystallography
- Journal
- Acta Crystallographica. Section E: Structure Reports Online
- Volume
- 59
- ISSN
- 1600-5368
- Publication date
- 2003
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 1051 Geology, Mineralogy
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/sc2tio5-an-entropystabilized-pseudobrookitetype-compound(5069aed2-40d6-4e99-b763-c12bd1c2d206).html