Materials Data on Cs(MoS)9 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/1753584/
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资源简介：
Cs(MoS)9 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine S atoms. There are three shorter (3.65 Å) and six longer (3.68 Å) Cs–S bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.50–2.55 Å. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are two shorter (2.50 Å) and two longer (2.54 Å) Mo–S bond lengths. There are two inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to one Cs and four Mo atoms. In the second S site, S is bonded in a distorted pentagonal planar geometry to one Cs and four Mo atoms.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-30
