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Materials Data on Sr2FeH6 by Materials Project

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DataCite Commons2021-02-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1752589/
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资源简介:
Sr2FeH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent H1- atoms to form SrH12 cuboctahedra that share corners with twelve equivalent SrH12 cuboctahedra, faces with six equivalent SrH12 cuboctahedra, and faces with four equivalent FeH6 octahedra. All Sr–H bond lengths are 2.65 Å. Fe2+ is bonded to six equivalent H1- atoms to form FeH6 octahedra that share faces with eight equivalent SrH12 cuboctahedra. All Fe–H bond lengths are 1.62 Å. H1- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one Fe2+ atom.
提供机构:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间:
2020-12-30
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