Materials Data on CsSnS3 by Materials Project
CsSnS3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S+1.67- atoms. There are a spread of Cs–S bond distances ranging from 3.56–4.15 Å. Sn4+ is bonded to five S+1.67- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.63 Å. There are three inequivalent S+1.67- sites. In the first S+1.67- site, S+1.67- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Sn4+, and one S+1.67- atom. The S–S bond length is 2.10 Å. In the second S+1.67- site, S+1.67- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent Sn4+ atoms. In the third S+1.67- site, S+1.67- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two equivalent Sn4+ atoms.
- 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:
- 1272214
- Report Number(s):
- mp-561710
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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