Ni3Te is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to eight equivalent Ni(1) and four equivalent Te(1) atoms to form NiNi8Te4 cuboctahedra that share corners with four equivalent Te(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)Ni8Te4 cuboctahedra; edges with six equivalent Te(1)Ni12 cuboctahedra; edges with twelve equivalent Ni(1)Ni8Te4 cuboctahedra; faces with four equivalent Te(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1)Ni8Te4 cuboctahedra. In the second Ni site, Ni(1) is bonded to eight Ni(1,1) and four equivalent Te(1) atoms to form NiNi8Te4 cuboctahedra that share corners with four equivalent Te(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)Ni8Te4 cuboctahedra; edges with six equivalent Te(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)Ni8Te4 cuboctahedra; faces with four equivalent Te(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1)Ni8Te4 cuboctahedra. Te(1) is bonded to twelve Ni(1,1) atoms to form TeNi12 cuboctahedra that share corners with six equivalent Te(1)Ni12 cuboctahedra; corners with twelve Ni(1,1)Ni8Te4 cuboctahedra; edges with eighteen Ni(1,1)Ni8Te4 cuboctahedra; faces with eight equivalent Te(1)Ni12 cuboctahedra; and faces with twelve Ni(1,1)Ni8Te4 cuboctahedra.
Ni3Te is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to eight equivalent Ni(1) and four equivalent Te(1) atoms to form NiNi8Te4 cuboctahedra that share corners with four equivalent Te(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)Ni8Te4 cuboctahedra; edges with six equivalent Te(1)Ni12 cuboctahedra; edges with twelve equivalent Ni(1)Ni8Te4 cuboctahedra; faces with four equivalent Te(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1)Ni8Te4 cuboctahedra. There are a spread of Ni(1)-Ni(1) bond distances ranging from 2.58-2.76 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Ni(1)-Te(1) bond lengths. In the second Ni site, Ni(1) is bonded to eight Ni(1,1) and four equivalent Te(1) atoms to form NiNi8Te4 cuboctahedra that share corners with four equivalent Te(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)Ni8Te4 cuboctahedra; edges with six equivalent Te(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)Ni8Te4 cuboctahedra; faces with four equivalent Te(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1)Ni8Te4 cuboctahedra. There are a spread of Ni(1)-Ni(1) bond distances ranging from 2.58-2.76 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Ni(1)-Te(1) bond lengths. Te(1) is bonded to twelve Ni(1,1) atoms to form TeNi12 cuboctahedra that share corners with six equivalent Te(1)Ni12 cuboctahedra; corners with twelve Ni(1,1)Ni8Te4 cuboctahedra; edges with eighteen Ni(1,1)Ni8Te4 cuboctahedra; faces with eight equivalent Te(1)Ni12 cuboctahedra; and faces with twelve Ni(1,1)Ni8Te4 cuboctahedra.