Materials Data on HoSi3 by Materials Project

Abstract

HoSi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to twelve Si atoms. There are a spread of Ho–Si bond distances ranging from 2.99–3.25 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to twelve Si atoms. There are four shorter (2.96 Å) and eight longer (3.01 Å) Ho–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four Ho and five Si atoms. There are one shorter (2.48 Å) and four longer (2.57 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to four Ho and five Si atoms. There are one shorter (2.45 Å) and two longer (2.68 Å) Si–Si bond lengths.