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DOE OSTI · 1203621

Materials Data on Ca3SnO by Materials Project

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Abstract

Ca3SnO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Sn and two equivalent O atoms. All Ca–Sn bond lengths are 3.43 Å. Both Ca–O bond lengths are 2.43 Å. Sn is bonded to twelve equivalent Ca atoms to form SnCa12 cuboctahedra that share corners with twelve equivalent SnCa12 cuboctahedra, faces with six equivalent SnCa12 cuboctahedra, and faces with eight equivalent OCa6 octahedra. O is bonded to six equivalent Ca atoms to form OCa6 octahedra that share corners with six equivalent OCa6 octahedra and faces with eight equivalent SnCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCECa-O-SnCa3SnOcrystal structure

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2020-07-16. Materials Data on Ca3SnO by Materials Project. https://doi.org/10.17188/1203621

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