Materials Data on Ho3NiGe2 by Materials Project

Abstract

Ho3NiGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to three equivalent Ni and five Ge atoms. There are one shorter (2.95 Å) and two longer (2.97 Å) Ho–Ni bond lengths. There are three shorter (2.97 Å) and two longer (3.06 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded in a 6-coordinate geometry to one Ni and five Ge atoms. The Ho–Ni bond length is 2.83 Å. There are a spread of Ho–Ge bond distances ranging from 2.97–3.12 Å. In the third Ho site, Ho is bonded in a 7-coordinate geometry to two equivalent Ni and five Ge atoms. Both Ho–Ni bond lengths are 2.80 Å. There are a spread of Ho–Ge bond distances ranging from 2.98–3.59 Å. Ni is bonded in a 9-coordinate geometry to six Ho and three Ge atoms. There are one shorter (2.49 Å) and two longer (2.50 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Ho and one Ni atom.