Materials Data on Co3(SnS)2 by Materials Project
Co3Sn2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co is bonded in a distorted linear geometry to four Sn and two equivalent S atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Co–Sn bond lengths. Both Co–S bond lengths are 2.16 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six equivalent Co and two equivalent S atoms to form SnCo6S2 hexagonal bipyramids that share corners with six equivalent SnCo6S2 hexagonal bipyramids and edges with six equivalent SnCo6 cuboctahedra. Both Sn–S bond lengths are 2.89 Å. In the second Sn site, Sn is bonded to six equivalent Co atoms to form distorted SnCo6 cuboctahedra that share corners with six equivalent SnCo6 cuboctahedra and edges with six equivalent SnCo6S2 hexagonal bipyramids. S is bonded in a 4-coordinate geometry to three equivalent Co and one Sn atom.
- 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:
- 1195005
- Report Number(s):
- mp-19807
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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