Materials Data on CoAsS by Materials Project
CoAsS is Spinel-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Co3+ is bonded to three equivalent As1- and three equivalent S2- atoms to form CoAs3S3 octahedra that share corners with eight equivalent CoAs3S3 octahedra, corners with three equivalent AsCo3S tetrahedra, corners with three equivalent SCo3As tetrahedra, and edges with two equivalent CoAs3S3 octahedra. The corner-sharing octahedra tilt angles range from 58–60°. There are one shorter (2.33 Å) and two longer (2.34 Å) Co–As bond lengths. There are one shorter (2.25 Å) and two longer (2.30 Å) Co–S bond lengths. As1- is bonded to three equivalent Co3+ and one S2- atom to form AsCo3S tetrahedra that share corners with three equivalent CoAs3S3 octahedra, corners with six equivalent AsCo3S tetrahedra, corners with seven equivalent SCo3As tetrahedra, and an edgeedge with one SCo3As tetrahedra. The corner-sharing octahedra tilt angles range from 74–76°. The As–S bond length is 2.36 Å. S2- is bonded to three equivalent Co3+ and one As1- atom to form SCo3As tetrahedra that share corners with three equivalent CoAs3S3 octahedra, corners with six equivalent SCo3As tetrahedra, corners with seven equivalent AsCo3S tetrahedra, and an edgeedge with one AsCo3S tetrahedra. The corner-sharing octahedra tilt angles range from 73–80°.
- 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:
- 1267650
- Report Number(s):
- mp-553946
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on CoAsSe by Materials Project
Materials Data on CoAsS by Materials Project