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DOE OSTI · 1191758

Materials Data on ZnNi3C by Materials Project

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Abstract

ZnCNi3 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 Zn and two equivalent C atoms. All Ni–Zn bond lengths are 2.66 Å. Both Ni–C bond lengths are 1.88 Å. Zn is bonded to twelve equivalent Ni atoms to form ZnNi12 cuboctahedra that share corners with twelve equivalent ZnNi12 cuboctahedra, faces with six equivalent ZnNi12 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 ZnNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Ni-Zncrystal structureZnNi3C

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2020-07-16. Materials Data on ZnNi3C by Materials Project. https://doi.org/10.17188/1191758

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