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Materials Data on Co3S4 by Materials Project

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Mendeley Data2024-01-31 更新2024-06-29 收录
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https://www.osti.gov/servlets/purl/1182422/
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Co3S4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to six equivalent S2- atoms to form CoS6 octahedra that share corners with six equivalent CoS4 tetrahedra and edges with six equivalent CoS6 octahedra. All Co–S bond lengths are 2.26 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to four equivalent S2- atoms to form corner-sharing CoS4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Co–S bond lengths are 2.13 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to four Co+2.67+ atoms.
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2024-01-31
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