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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ti3Ni by Materials Project

Ti3Ni is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ni atoms to form TiTi8Ni4 cuboctahedra that share corners with twelve equivalent TiTi8Ni4 cuboctahedra, edges with eight equivalent NiTi12 cuboctahedra, edges with sixteen equivalent TiTi8Ni4 cuboctahedra, faces with four equivalent NiTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Ni4 cuboctahedra. All Ti–Ti bond lengths are 2.78 Å. All Ti–Ni bond lengths are 2.78 Å. Ni is bonded to twelve equivalent Ti atoms to form NiTi12 cuboctahedra that share corners with twelve equivalent NiTi12 cuboctahedra, edges with twenty-four equivalent TiTi8Ni4 cuboctahedra, faces with six equivalent NiTi12 cuboctahedra, and faces with twelve equivalent TiTi8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti3Ni by Materials Project

Ti3Ni is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ni atoms to form distorted TiTi8Ni4 cuboctahedra that share corners with four equivalent NiTi12 cuboctahedra, corners with fourteen equivalent TiTi8Ni4 cuboctahedra, edges with six equivalent NiTi12 cuboctahedra, edges with twelve equivalent TiTi8Ni4 cuboctahedra, faces with four equivalent NiTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Ni4 cuboctahedra. There are two shorter (2.62 Å) and six longer (2.83 Å) Ti–Ti bond lengths. There are two shorter (2.72 Å) and two longer (2.76 Å) Ti–Ni bond lengths. Ni is bonded to twelve equivalent Ti atoms to form NiTi12 cuboctahedra that share corners with six equivalent NiTi12 cuboctahedra, corners with twelve equivalent TiTi8Ni4 cuboctahedra, edges with eighteen equivalent TiTi8Ni4 cuboctahedra, faces with eight equivalent NiTi12 cuboctahedra, and faces with twelve equivalent TiTi8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗