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DOE OSTI · 1672570

Materials Data on SnH6CI3N by Materials Project

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Abstract

CH3NH3SnI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four methylammonium molecules and one SnI3 framework. In the SnI3 framework, Sn4+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 13–29°. There are four shorter (3.22 Å) and two longer (3.31 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two equivalent Sn4+ atoms. In the second I1- site, I1- is bonded in a bent 150 degrees geometry to two equivalent Sn4+ atoms.

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36 MATERIALS SCIENCEC-H-I-N-Sncrystal structureSnH6CI3N

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2020-04-29. Materials Data on SnH6CI3N by Materials Project. https://doi.org/10.17188/1672570

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DOE OSTI2026

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36 MATERIALS SCIENCE↗