Materials Data on Ni2GeP by Materials Project

Abstract

Ni2GeP is Modderite-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to two equivalent Ni, four equivalent Ge, and two equivalent P atoms. Both Ni–Ni bond lengths are 2.50 Å. There are a spread of Ni–Ge bond distances ranging from 2.41–2.48 Å. There are one shorter (2.26 Å) and one longer (2.30 Å) Ni–P bond lengths. In the second Ni site, Ni is bonded in a 6-coordinate geometry to two equivalent Ni, two equivalent Ge, and four equivalent P atoms. Both Ni–Ni bond lengths are 2.49 Å. There are one shorter (2.46 Å) and one longer (2.54 Å) Ni–Ge bond lengths. There are a spread of Ni–P bond distances ranging from 2.26–2.38 Å. Ge is bonded in a 6-coordinate geometry to six Ni atoms. P is bonded in a 6-coordinate geometry to six Ni atoms.