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Materials Data on Sc(Ni2As)2 by Materials Project

Sc(Ni2As)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sc2+ is bonded to six equivalent As3- atoms to form a mixture of edge and corner-sharing ScAs6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (2.84 Å) and four longer (2.87 Å) Sc–As bond lengths. Ni1+ is bonded in a trigonal non-coplanar geometry to three equivalent As3- atoms. There are one shorter (2.35 Å) and two longer (2.36 Å) Ni–As bond lengths. As3- is bonded in a 9-coordinate geometry to three equivalent Sc2+ and six equivalent Ni1+ atoms.

36 MATERIALS SCIENCE↗