Materials Data on GaNi3C by Materials Project

Abstract

GaCNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a linear geometry to four equivalent Ga and two equivalent C atoms. All Ni–Ga bond lengths are 2.67 Å. Both Ni–C bond lengths are 1.89 Å. Ga is bonded to twelve equivalent Ni atoms to form GaNi12 cuboctahedra that share corners with twelve equivalent GaNi12 cuboctahedra, faces with six equivalent GaNi12 cuboctahedra, and faces with eight equivalent CNi6 octahedra. C is bonded to six equivalent Ni atoms to form CNi6 octahedra that share corners with six equivalent CNi6 octahedra and faces with eight equivalent GaNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.