Materials Data on Sm3NiGe2 by Materials Project

Abstract

Sm3NiGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to one Ni and five Ge atoms. The Sm–Ni bond length is 2.88 Å. There are a spread of Sm–Ge bond distances ranging from 3.05–3.27 Å. In the second Sm site, Sm is bonded in a 7-coordinate geometry to two equivalent Ni and five Ge atoms. Both Sm–Ni bond lengths are 2.89 Å. There are a spread of Sm–Ge bond distances ranging from 3.04–3.68 Å. In the third Sm site, Sm is bonded in a 8-coordinate geometry to three equivalent Ni and five Ge atoms. There are one shorter (3.01 Å) and two longer (3.07 Å) Sm–Ni bond lengths. There are a spread of Sm–Ge bond distances ranging from 3.02–3.12 Å. Ni is bonded in a 9-coordinate geometry to six Sm and three Ge atoms. There are one shorter (2.52 Å) and two longer (2.53 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 Sm and two equivalent Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Sm and one Ni atom.