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Title: Materials Data on Cs3SbF6 by Materials Project

Abstract

Cs3SbF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 3.00–3.20 Å. In the second Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 3.01–3.30 Å. In the third Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 3.02–3.22 Å. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.22 Å) and two longer (2.23 Å) Sb–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three Cs1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three Cs1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three Cs1+ and one Sb3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1206735
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; Cs3SbF6; Cs-F-Sb
OSTI Identifier:
1683942
DOI:
https://doi.org/10.17188/1683942

Citation Formats

The Materials Project. Materials Data on Cs3SbF6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1683942.
The Materials Project. Materials Data on Cs3SbF6 by Materials Project. United States. doi:https://doi.org/10.17188/1683942
The Materials Project. 2019. "Materials Data on Cs3SbF6 by Materials Project". United States. doi:https://doi.org/10.17188/1683942. https://www.osti.gov/servlets/purl/1683942. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1683942,
title = {Materials Data on Cs3SbF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3SbF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 3.00–3.20 Å. In the second Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 3.01–3.30 Å. In the third Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 3.02–3.22 Å. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.22 Å) and two longer (2.23 Å) Sb–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three Cs1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three Cs1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three Cs1+ and one Sb3+ atom.},
doi = {10.17188/1683942},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}