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DOE OSTI · 1186863

Materials Data on ZnFe3C by Materials Project

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Abstract

ZnCFe3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Zn and two equivalent C atoms. All Fe–Zn bond lengths are 2.67 Å. Both Fe–C bond lengths are 1.89 Å. Zn is bonded to twelve equivalent Fe atoms to form ZnFe12 cuboctahedra that share corners with twelve equivalent ZnFe12 cuboctahedra, faces with six equivalent ZnFe12 cuboctahedra, and faces with eight equivalent CFe6 octahedra. C is bonded to six equivalent Fe atoms to form CFe6 octahedra that share corners with six equivalent CFe6 octahedra and faces with eight equivalent ZnFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Fe-Zncrystal structureZnFe3C

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2020-07-15. Materials Data on ZnFe3C by Materials Project. https://doi.org/10.17188/1186863

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