Materials Data on Ni3Te by Materials Project
Ni3Te is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni is bonded to eight equivalent Ni and four equivalent Te atoms to form NiNi8Te4 cuboctahedra that share corners with four equivalent TeNi12 cuboctahedra, corners with fourteen equivalent NiNi8Te4 cuboctahedra, edges with six equivalent TeNi12 cuboctahedra, edges with twelve equivalent NiNi8Te4 cuboctahedra, faces with four equivalent TeNi12 cuboctahedra, and faces with sixteen equivalent NiNi8Te4 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.58–2.76 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Ni–Te bond lengths. Te is bonded to twelve equivalent Ni atoms to form TeNi12 cuboctahedra that share corners with six equivalent TeNi12 cuboctahedra, corners with twelve equivalent NiNi8Te4 cuboctahedra, edges with eighteen equivalent NiNi8Te4 cuboctahedra, faces with eight equivalent TeNi12 cuboctahedra, and faces with twelve equivalent NiNi8Te4 cuboctahedra.