Materials Data on CoSbS by Materials Project
CoSbS is Ilmenite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Co3+ is bonded to three equivalent Sb1- and three equivalent S2- atoms to form distorted CoSb3S3 octahedra that share corners with ten equivalent CoSb3S3 octahedra, corners with three equivalent SbCo3S tetrahedra, corners with three equivalent SCo3Sb tetrahedra, and an edgeedge with one CoSb3S3 octahedra. The corner-sharing octahedra tilt angles range from 56–66°. There are a spread of Co–Sb bond distances ranging from 2.52–2.56 Å. There are a spread of Co–S bond distances ranging from 2.28–2.36 Å. Sb1- is bonded to three equivalent Co3+ and one S2- atom to form distorted SbCo3S tetrahedra that share corners with three equivalent CoSb3S3 octahedra, corners with four equivalent SbCo3S tetrahedra, corners with nine equivalent SCo3Sb tetrahedra, and an edgeedge with one SbCo3S tetrahedra. The corner-sharing octahedra tilt angles range from 74–87°. The Sb–S bond length is 2.55 Å. S2- is bonded to three equivalent Co3+ and one Sb1- atom to form distorted SCo3Sb tetrahedra that share corners with three equivalent CoSb3S3 octahedra, corners with six equivalent SCo3Sb tetrahedra, and corners with nine equivalent SbCo3S tetrahedra. The corner-sharing octahedra tilt angles range from 68–82°.
- 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:
- 1718147
- Report Number(s):
- mp-1191202
- 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