Materials Data on FeCo3S8 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/1753348/
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资源简介：
FeCo3S8 is Pyrite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent S1- atoms to form FeS6 octahedra that share corners with twelve equivalent CoS6 octahedra. The corner-sharing octahedral tilt angles are 64°. All Fe–S bond lengths are 2.27 Å. Co2+ is bonded to six S1- atoms to form CoS6 octahedra that share corners with four equivalent FeS6 octahedra, corners with eight equivalent CoS6 octahedra, and corners with two equivalent SCo3S tetrahedra. The corner-sharing octahedra tilt angles range from 64–66°. There are two shorter (2.30 Å) and four longer (2.31 Å) Co–S bond lengths. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 4-coordinate geometry to one Fe2+, two equivalent Co2+, and one S1- atom. The S–S bond length is 2.17 Å. In the second S1- site, S1- is bonded to three equivalent Co2+ and one S1- atom to form distorted SCo3S tetrahedra that share corners with three equivalent CoS6 octahedra and corners with three equivalent SCo3S tetrahedra. The corner-sharing octahedral tilt angles are 77°. The S–S bond length is 2.11 Å.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-30
