Materials Data on CsSrBr3 by Materials Project
收藏DataCite Commons2021-02-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1757345/
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资源简介：
CsSrBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.67–4.13 Å. Sr2+ is bonded to six Br1- atoms to form corner-sharing SrBr6 octahedra. The corner-sharing octahedra tilt angles range from 27–28°. There are a spread of Sr–Br bond distances ranging from 3.06–3.08 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Sr2+ atoms. In the second Br1- site, Br1- is bonded to two equivalent Cs1+ and two equivalent Sr2+ atoms to form distorted corner-sharing BrCs2Sr2 tetrahedra.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2021-01-15
