Materials Data on Ho15Si9C by Materials Project

Abstract

Ho15Si9C crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 2-coordinate geometry to four Si and two equivalent C atoms. There are a spread of Ho–Si bond distances ranging from 2.99–3.34 Å. There are one shorter (2.44 Å) and one longer (2.47 Å) Ho–C bond lengths. In the second Ho site, Ho is bonded in a 4-coordinate geometry to four Si atoms. There are three shorter (2.92 Å) and one longer (3.16 Å) Ho–Si bond lengths. In the third Ho site, Ho is bonded in a 3-coordinate geometry to five Si atoms. There are a spread of Ho–Si bond distances ranging from 2.91–3.53 Å. In the fourth Ho site, Ho is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Ho–Si bond distances ranging from 2.97–3.08 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Ho atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Ho atoms. In the third Si site, Si is bonded in a 8-coordinate geometry to eight Ho atoms. C is bonded to six equivalent Ho atoms to form face-sharing CHo6 octahedra.