Materials Data on Ho4Si3Ge by Materials Project

Abstract

Ho4GeSi3 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 one Ge and six Si atoms. The Ho–Ge bond length is 2.96 Å. There are four shorter (2.94 Å) and two longer (3.12 Å) Ho–Si bond lengths. In the second Ho site, Ho is bonded in a 5-coordinate geometry to two equivalent Ge and five Si atoms. Both Ho–Ge bond lengths are 3.15 Å. There are four shorter (2.94 Å) and one longer (2.96 Å) Ho–Si bond lengths. In the third Ho site, Ho is bonded in a 5-coordinate geometry to four equivalent Ge and three Si atoms. All Ho–Ge bond lengths are 2.94 Å. There are one shorter (2.96 Å) and two longer (3.15 Å) Ho–Si bond lengths. In the fourth Ho site, Ho is bonded in a 5-coordinate geometry to seven Si atoms. There are five shorter (2.94 Å) and two longer (3.13 Å) Ho–Si bond lengths. Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Si atoms. Both Ge–Si bond lengths are 2.56 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Ho and two equivalent Si atoms. Both Si–Si bond lengths are 2.53 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Ho and two equivalent Si atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ge atoms.