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DOE OSTI · 1699737

Materials Data on CdNi3C by Materials Project

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Abstract

CdCNi3 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 Cd and two equivalent C atoms. All Ni–Cd bond lengths are 2.73 Å. Both Ni–C bond lengths are 1.93 Å. Cd is bonded to twelve equivalent Ni atoms to form CdNi12 cuboctahedra that share corners with twelve equivalent CdNi12 cuboctahedra, faces with six equivalent CdNi12 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 CdNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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2020-05-03. Materials Data on CdNi3C by Materials Project. https://doi.org/10.17188/1699737

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