Materials Data on Tb2Si3 by Materials Project

Abstract

Tb2Si3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to nine Si atoms. There are three shorter (3.02 Å) and six longer (3.07 Å) Tb–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Si atoms. All Si–Si bond lengths are 2.30 Å. In the second Si site, Si is bonded to six equivalent Tb atoms to form distorted edge-sharing SiTb6 pentagonal pyramids. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Si atoms.