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Title: Materials Data on Cs4Sn2Te7 by Materials Project

Abstract

Cs4Sn2Te7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Te+1.14- atoms. There are a spread of Cs–Te bond distances ranging from 3.93–4.31 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Te+1.14- atoms. There are a spread of Cs–Te bond distances ranging from 3.95–4.26 Å. Sn2+ is bonded to four Te+1.14- atoms to form corner-sharing SnTe4 tetrahedra. There are a spread of Sn–Te bond distances ranging from 2.73–2.87 Å. There are four inequivalent Te+1.14- sites. In the first Te+1.14- site, Te+1.14- is bonded to five Cs1+ and one Sn2+ atom to form a mixture of edge and corner-sharing TeCs5Sn octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Te+1.14- site, Te+1.14- is bonded in a 6-coordinate geometry to five Cs1+ and one Sn2+ atom. In the third Te+1.14- site, Te+1.14- is bonded in a 1-coordinate geometry to four Cs1+, one Sn2+, and one Te+1.14- atom. The Te–Te bond length is 2.76 Å. In the fourth Te+1.14- site, Te+1.14- is bonded in a 2-coordinate geometry to four Cs1+ and twomore » equivalent Sn2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-505014
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs4Sn2Te7; Cs-Sn-Te
OSTI Identifier:
1262205
DOI:
https://doi.org/10.17188/1262205

Citation Formats

The Materials Project. Materials Data on Cs4Sn2Te7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262205.
The Materials Project. Materials Data on Cs4Sn2Te7 by Materials Project. United States. doi:https://doi.org/10.17188/1262205
The Materials Project. 2020. "Materials Data on Cs4Sn2Te7 by Materials Project". United States. doi:https://doi.org/10.17188/1262205. https://www.osti.gov/servlets/purl/1262205. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1262205,
title = {Materials Data on Cs4Sn2Te7 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs4Sn2Te7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Te+1.14- atoms. There are a spread of Cs–Te bond distances ranging from 3.93–4.31 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Te+1.14- atoms. There are a spread of Cs–Te bond distances ranging from 3.95–4.26 Å. Sn2+ is bonded to four Te+1.14- atoms to form corner-sharing SnTe4 tetrahedra. There are a spread of Sn–Te bond distances ranging from 2.73–2.87 Å. There are four inequivalent Te+1.14- sites. In the first Te+1.14- site, Te+1.14- is bonded to five Cs1+ and one Sn2+ atom to form a mixture of edge and corner-sharing TeCs5Sn octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Te+1.14- site, Te+1.14- is bonded in a 6-coordinate geometry to five Cs1+ and one Sn2+ atom. In the third Te+1.14- site, Te+1.14- is bonded in a 1-coordinate geometry to four Cs1+, one Sn2+, and one Te+1.14- atom. The Te–Te bond length is 2.76 Å. In the fourth Te+1.14- site, Te+1.14- is bonded in a 2-coordinate geometry to four Cs1+ and two equivalent Sn2+ atoms.},
doi = {10.17188/1262205},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}