Planar Nets of Ti Atoms Comprising Squares and Rhombs in the New Binary Antimonide Ti₂Sb.

Abstract

Sb. -The new title compound is synthesized in quantitative yield from a mixture of TiSb2 and Ti (1100°C, 1 week). Ti2Sb crystallizes in the space group I4/mmm with Z = 6 (single crystal XRD). The structure is a distorted variant of the La2Sb type containing a Ti net comprised of squares and rhombs in a 1:1 ratio. LMTO electronic structure calculations indicate a lowering of the total energy caused by the disorder, the major driving force being the strengthened Ti-Ti interactions along the diagonal of the Ti4 rhombs. -(DERAKHSHAN, S.; ASSOUD, A.; KLEINKE, K. M.; DASHJAV, E.; QIU, X.; BILLINGE, S. J. L.; KLEINKE*, H.; J. Am. Chem. Soc. 126 (2004) 26, 8295-8302; Dep. Chem., Univ. Waterloo, Waterloo, Ont. N2L 3G1, Can.; Eng.) -W. Pewestorf 38-009