Materials Data on Ho4In(NiGe2)2 by Materials Project

Abstract

Ho4In(NiGe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to three equivalent Ni, two equivalent In, and five Ge atoms. There are one shorter (2.97 Å) and two longer (3.30 Å) Ho–Ni bond lengths. Both Ho–In bond lengths are 3.34 Å. There are a spread of Ho–Ge bond distances ranging from 2.90–3.06 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Ni, two equivalent In, and seven Ge atoms. There are two shorter (3.03 Å) and one longer (3.05 Å) Ho–Ni bond lengths. Both Ho–In bond lengths are 3.40 Å. There are a spread of Ho–Ge bond distances ranging from 2.96–3.29 Å. Ni is bonded in a 10-coordinate geometry to six Ho and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.39–2.56 Å. In is bonded to eight Ho and four Ge atoms to form face-sharing InHo8Ge4 cuboctahedra. There are two shorter (2.86 Å) and two longer (3.11 Å) In–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, one Ni, one In, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ho, three equivalent Ni, and one In atom.