Materials Data on Ho4SiGe3 by Materials Project

Abstract

Ho4Ge3Si crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to six Ge and one Si atom. There are four shorter (2.96 Å) and two longer (3.21 Å) Ho–Ge bond lengths. The Ho–Si bond length is 2.95 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to five Ge and two equivalent Si atoms. There are one shorter (2.95 Å) and four longer (2.96 Å) Ho–Ge bond lengths. Both Ho–Si bond lengths are 3.17 Å. In the third Ho site, Ho is bonded in a 5-coordinate geometry to three Ge and four equivalent Si atoms. There are one shorter (2.95 Å) and two longer (3.17 Å) Ho–Ge bond lengths. All Ho–Si bond lengths are 2.96 Å. In the fourth Ho site, Ho is bonded in a 5-coordinate geometry to seven Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.95–3.20 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to seven Ho and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.67 Å. In the second Ge site, Ge is bonded in a 5-coordinate geometry to seven Ho and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Si atoms. Both Ge–Si bond lengths are 2.63 Å. Si is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ge atoms.