Materials Data on CoSbS by Materials Project
CoSbS is Hausmannite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Co3+ is bonded to three equivalent Sb1- and three equivalent S2- atoms to form CoSb3S3 octahedra that share corners with eight equivalent CoSb3S3 octahedra, corners with three equivalent SbCo3S tetrahedra, corners with three equivalent SCo3Sb tetrahedra, and edges with two equivalent CoSb3S3 octahedra. The corner-sharing octahedra tilt angles range from 56–59°. There are one shorter (2.49 Å) and two longer (2.50 Å) Co–Sb bond lengths. There are one shorter (2.28 Å) and two longer (2.35 Å) Co–S bond lengths. Sb1- is bonded to three equivalent Co3+ and one S2- atom to form SbCo3S tetrahedra that share corners with three equivalent CoSb3S3 octahedra, corners with six equivalent SbCo3S tetrahedra, corners with seven equivalent SCo3Sb tetrahedra, and an edgeedge with one SCo3Sb tetrahedra. The corner-sharing octahedra tilt angles range from 75–77°. The Sb–S bond length is 2.58 Å. S2- is bonded to three equivalent Co3+ and one Sb1- atom to form SCo3Sb tetrahedra that share corners with three equivalent CoSb3S3 octahedra, corners with six equivalent SCo3Sb tetrahedra, corners with seven equivalent SbCo3S tetrahedra, and an edgeedge with one SbCo3S tetrahedra. The corner-sharing octahedra tilt angles range from 72–82°.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1208517
- Report Number(s):
- mp-4962
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on CoSbS by Materials Project
Materials Data on CoSbS by Materials Project