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Materials Data on ScNiP by Materials Project

ScNiP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc2+ is bonded to five equivalent P3- atoms to form distorted ScP5 trigonal bipyramids that share corners with eight equivalent NiP4 tetrahedra, corners with eight equivalent ScP5 trigonal bipyramids, edges with six equivalent NiP4 tetrahedra, and edges with six equivalent ScP5 trigonal bipyramids. There are three shorter (2.65 Å) and two longer (2.69 Å) Sc–P bond lengths. Ni1+ is bonded to four equivalent P3- atoms to form NiP4 tetrahedra that share corners with eight equivalent NiP4 tetrahedra, corners with eight equivalent ScP5 trigonal bipyramids, edges with two equivalent NiP4 tetrahedra, and edges with six equivalent ScP5 trigonal bipyramids. There are two shorter (2.34 Å) and two longer (2.41 Å) Ni–P bond lengths. P3- is bonded in a 9-coordinate geometry to five equivalent Sc2+ and four equivalent Ni1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on ScNiP by Materials Project

ScNiP is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc2+ is bonded in a 6-coordinate geometry to six equivalent P3- atoms. All Sc–P bond lengths are 2.84 Å. Ni1+ is bonded to four equivalent P3- atoms to form corner-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.46 Å. P3- is bonded in a 10-coordinate geometry to six equivalent Sc2+ and four equivalent Ni1+ atoms.

36 MATERIALS SCIENCE↗