Materials Data on Cs2SnTe4 by Materials Project
Cs2SnTe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of Cs–Te bond distances ranging from 3.93–4.25 Å. Sn4+ is bonded in a tetrahedral geometry to four Te+1.50- atoms. There are a spread of Sn–Te bond distances ranging from 2.79–2.88 Å. There are three inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 1-coordinate geometry to six equivalent Cs1+, one Sn4+, and one Te+1.50- atom. The Te–Te bond length is 3.43 Å. In the second Te+1.50- site, Te+1.50- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Sn4+, and three Te+1.50- atoms. Both Te–Te bond lengths are 3.64 Å. In the third Te+1.50- site, Te+1.50- is bonded in a 6-coordinate geometry to four equivalent Cs1+, one Sn4+, and two Te+1.50- atoms. The Te–Te bond length is 2.88 Å.
- 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:
- 1202956
- Report Number(s):
- mp-28877
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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