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Title: Materials Data on Cs12Sn2Sb6O by Materials Project

Abstract

Cs12Sn2Sb6O crystallizes in the trigonal P-3m1 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 two equivalent Cs1+ and six equivalent Sb3- atoms. There are one shorter (3.89 Å) and one longer (3.90 Å) Cs–Cs bond lengths. There are two shorter (4.26 Å) and four longer (4.28 Å) Cs–Sb bond lengths. In the second Cs1+ site, Cs1+ is bonded in a distorted single-bond geometry to four equivalent Sb3- and one O2- atom. There are a spread of Cs–Sb bond distances ranging from 3.85–4.25 Å. The Cs–O bond length is 3.03 Å. Sn4+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Sn–Sb bond lengths are 2.78 Å. Sb3- is bonded in a 11-coordinate geometry to ten Cs1+ and one Sn4+ atom. O2- is bonded in an octahedral geometry to six equivalent Cs1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1226335
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; Cs12Sn2Sb6O; Cs-O-Sb-Sn
OSTI Identifier:
1687017
DOI:
https://doi.org/10.17188/1687017

Citation Formats

The Materials Project. Materials Data on Cs12Sn2Sb6O by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1687017.
The Materials Project. Materials Data on Cs12Sn2Sb6O by Materials Project. United States. doi:https://doi.org/10.17188/1687017
The Materials Project. 2019. "Materials Data on Cs12Sn2Sb6O by Materials Project". United States. doi:https://doi.org/10.17188/1687017. https://www.osti.gov/servlets/purl/1687017. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1687017,
title = {Materials Data on Cs12Sn2Sb6O by Materials Project},
author = {The Materials Project},
abstractNote = {Cs12Sn2Sb6O crystallizes in the trigonal P-3m1 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 two equivalent Cs1+ and six equivalent Sb3- atoms. There are one shorter (3.89 Å) and one longer (3.90 Å) Cs–Cs bond lengths. There are two shorter (4.26 Å) and four longer (4.28 Å) Cs–Sb bond lengths. In the second Cs1+ site, Cs1+ is bonded in a distorted single-bond geometry to four equivalent Sb3- and one O2- atom. There are a spread of Cs–Sb bond distances ranging from 3.85–4.25 Å. The Cs–O bond length is 3.03 Å. Sn4+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Sn–Sb bond lengths are 2.78 Å. Sb3- is bonded in a 11-coordinate geometry to ten Cs1+ and one Sn4+ atom. O2- is bonded in an octahedral geometry to six equivalent Cs1+ atoms.},
doi = {10.17188/1687017},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}