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DOE OSTI · 1330029

Materials Data on Ca3SbP by Materials Project

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Abstract

Ca3SbP is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent P3- atoms. All Ca–Sb bond lengths are 3.81 Å. Both Ca–P bond lengths are 2.69 Å. Sb3- is bonded to twelve equivalent Ca2+ atoms to form SbCa12 cuboctahedra that share corners with twelve equivalent SbCa12 cuboctahedra, faces with six equivalent SbCa12 cuboctahedra, and faces with eight equivalent PCa6 octahedra. P3- is bonded to six equivalent Ca2+ atoms to form PCa6 octahedra that share corners with six equivalent PCa6 octahedra and faces with eight equivalent SbCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCECa-P-SbCa3SbPcrystal structure

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2020-07-23. Materials Data on Ca3SbP by Materials Project. https://doi.org/10.17188/1330029

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