Materials Data on Cs2Se 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/1754844/
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资源简介：
Cs2Se is Cotunnite-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Cs2Se sheets oriented in the (0, 0, 1) direction. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All Cs–Se bond lengths are 3.60 Å. In the second Cs1+ site, Cs1+ is bonded to four equivalent Se2- atoms to form a mixture of distorted corner and edge-sharing CsSe4 tetrahedra. There are three shorter (3.60 Å) and one longer (3.91 Å) Cs–Se bond lengths. Se2- is bonded in a 7-coordinate geometry to seven Cs1+ atoms.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-31
