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Title: Materials Data on Cs2SbF5 by Materials Project

Abstract

Cs2SbF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Cs–F bond distances ranging from 2.96–3.51 Å. In the second Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.04–3.64 Å. Sb3+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Sb–F bond distances ranging from 2.10–2.38 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to five Cs1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four Cs1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to four Cs1+ and two equivalent Sb3+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to four Cs1+ and one Sb3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1213717
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; Cs2SbF5; Cs-F-Sb
OSTI Identifier:
1740789
DOI:
https://doi.org/10.17188/1740789

Citation Formats

The Materials Project. Materials Data on Cs2SbF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740789.
The Materials Project. Materials Data on Cs2SbF5 by Materials Project. United States. doi:https://doi.org/10.17188/1740789
The Materials Project. 2020. "Materials Data on Cs2SbF5 by Materials Project". United States. doi:https://doi.org/10.17188/1740789. https://www.osti.gov/servlets/purl/1740789. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1740789,
title = {Materials Data on Cs2SbF5 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2SbF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Cs–F bond distances ranging from 2.96–3.51 Å. In the second Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.04–3.64 Å. Sb3+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Sb–F bond distances ranging from 2.10–2.38 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to five Cs1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four Cs1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to four Cs1+ and two equivalent Sb3+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to four Cs1+ and one Sb3+ atom.},
doi = {10.17188/1740789},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}