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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TiNiSn by Materials Project

TiNiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent Sn atoms. All Ti–Ni bond lengths are 2.67 Å. All Ti–Sn bond lengths are 2.67 Å. Ni is bonded to four equivalent Ti atoms to form distorted NiTi4 tetrahedra that share corners with four equivalent SnTi4 tetrahedra, corners with twelve equivalent NiTi4 tetrahedra, and edges with six equivalent SnTi4 tetrahedra. Sn is bonded to four equivalent Ti atoms to form distorted SnTi4 tetrahedra that share corners with four equivalent NiTi4 tetrahedra, corners with twelve equivalent SnTi4 tetrahedra, and edges with six equivalent NiTi4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiNi2Sn by Materials Project

TiNi2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Sn atoms. All Ti–Ni bond lengths are 2.65 Å. All Ti–Sn bond lengths are 3.06 Å. Ni is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.65 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Ti and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiNiSn by Materials Project

TiNiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded to six equivalent Ni and four equivalent Sn atoms to form a mixture of distorted face and corner-sharing TiNi6Sn4 tetrahedra. All Ti–Ni bond lengths are 3.07 Å. All Ti–Sn bond lengths are 2.66 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Ti and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.66 Å. Sn is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiNiSn by Materials Project

TiNiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Sn atoms. All Ti–Ni bond lengths are 2.56 Å. All Ti–Sn bond lengths are 2.96 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.56 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ti and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiNi2Sn by Materials Project

TiNi2Sn crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to eight equivalent Ni and two equivalent Sn atoms. All Ti–Ni bond lengths are 2.59 Å. Both Ti–Sn bond lengths are 2.91 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Ti, one Ni, and four equivalent Sn atoms. The Ni–Ni bond length is 2.50 Å. All Ni–Sn bond lengths are 2.81 Å. Sn is bonded in a 10-coordinate geometry to two equivalent Ti and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗