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Materials Data on ZnSiNi2 by Materials Project

Ni2ZnSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ni1+ is bonded to four equivalent Si4- atoms to form a mixture of distorted corner and edge-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.46 Å. Zn2+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All Zn–Si bond lengths are 2.85 Å. Si4- is bonded in a 8-coordinate geometry to eight equivalent Ni1+ and six equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on ZnSiNi2 by Materials Project

ZnNi2Si crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one Ni2Si sheet oriented in the (0, 0, 1) direction and one zinc molecule. In the Ni2Si sheet, Ni1+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Ni–Si bond lengths are 2.35 Å. Si4- is bonded in a body-centered cubic geometry to eight equivalent Ni1+ atoms.

36 MATERIALS SCIENCE↗