Citation

Dinges T, Rodewald UC, Matar SF, Eckert H, Pöttgen R. Zeitschrift fur Anorganische und Allgemeine Chemie 2009; 635(12): 1894-1903.

Copyright

(Copyright © 2009)

DOI

10.1002/zaac.200900102

PMID

unavailable

Abstract

The silicide LiRh2Si2 was synthesized from the elements in a sealed niobium ampoule and was characterized by X-ray powder and single-crystal diffraction: FeMo2B2 type (ordered version of U3Si2), P4/mbm, a = 698.1(5), c = 274.6(4) pm, wR2 = 0.0842, 186 F2 values and 11 variables. The rhodium and silicon atoms build up a covalently bonded three-dimensional [Rh2Si2] network (244-248 pm Rh-Si), in which the lithium atoms fill larger channels which extend along the c axis. A similar structural arrangement occurs in LiY2Si2, however, the strong difference in size between rhodium and yttrium leads to different distortions. LiRh2Si 2 and LiY2Si2 are isopointal rather than isotypic. The crystal chemistry and bonding peculiarities of both suicides are discussed on the basis of ab initio electronic structure calculations. 7Li solid-state NMR studies on LiY2Si2 revealed restricted motional narrowing due to lithium atomic diffusion in the temperature range 170-450 K. © 2009 Wiley-VCH Verlag GmbH & Co. KGaA.

Language: en

Keywords

Crystal chemistry; Chemical bonding; Lithium compounds; Density functional calculations; Solid state nmr spectroscopy