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Low- and high-temperature crystal structures of Ti।₃

Title data

Angelkort, Joachim ; Schönleber, Andreas ; van Smaalen, Sander:
Low- and high-temperature crystal structures of Ti।₃.
In: Journal of Solid State Chemistry. Vol. 182 (March 2009) Issue 3 . - 525 - 531.
ISSN 0022-4596
DOI: https://doi.org/10.1016/j.jssc.2008.11.028

Official URL: Volltext

Abstract in another language

Temperature-dependent, single-crystal X-ray diffraction of Ti।₃ has indicated that this compound undergoes a first-order phase transition at T c = 323 ± 2 K . Accurate structural parameters are reported for the high-temperature crystal structure at T = 326 K (hexagonal cell, a = 7.1416 (5)Å , c = 6.5102 (4)Å , Z = 2 , space group P6₃/mcm) and for the low-temperature structures at both 273 and 100 K (orthorhombic symmetry, space group Pmnm , Z = 4 , lattice parameters at 273 K: a = 12.3609 (7)Å, b = 7.1365 (5)Å , c = 6.5083 (4)Å and at 100 K: a = 12.2728 (7)Å , b = 7.0857 (5)Å , c = 6.4817 (4)Å ). Above T c , Ti।₃ possesses the Ti।₃ structure type containing chains of equidistant metal atoms. A twofold superstructure develops below T c , resulting in the RuBr₃ structure type that is characterized by a dimerization of the metal chains. The magnitude of the distortion is found to be the largest amongst the known transition metal trihalides. It thus provides an explanation for the inclination of Ti।₃ towards the RuBr₃ structure type, despite the fact that metal–metal bonds are weaker in iodides than in chlorides or bromides.

Further data

Item Type: Article in a journal
Refereed: Yes
Keywords: X-ray diffraction
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography > Chair Crystallography - Univ.-Prof. Dr. Sander van Smaalen
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 10 Aug 2015 10:53
Last Modified: 10 Aug 2015 10:53
URI: https://eref.uni-bayreuth.de/id/eprint/17856