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DOE OSTI · 1277770

Materials Data on CsSnI3 by Materials Project

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Abstract

CsSnI3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with eight equivalent SnI6 octahedra. All Cs–I bond lengths are 4.45 Å. Sn2+ is bonded to six equivalent I1- atoms to form SnI6 octahedra that share corners with six equivalent SnI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–I bond lengths are 3.14 Å. I1- is bonded to four equivalent Cs1+ and two equivalent Sn2+ atoms to form a mixture of distorted corner, edge, and face-sharing ICs4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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36 MATERIALS SCIENCEcrystal structureCs-I-SnCsSnI3

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2020-07-16. Materials Data on CsSnI3 by Materials Project. https://doi.org/10.17188/1277770

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