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Title: Materials Data on CsSbF4 by Materials Project

Abstract

CsSbF4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 3.24–3.36 Å. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to eleven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.08–3.40 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five F1- atoms to form distorted corner-sharing SbF5 square pyramids. There are a spread of Sb–F bond distances ranging from 1.97–2.32 Å. In the second Sb3+ site, Sb3+ is bonded to five F1- atoms to form distorted corner-sharing SbF5 square pyramids. There are a spread of Sb–F bond distances ranging from 1.98–2.27 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to four 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 distorted single-bond geometry tomore » three Cs1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to three Cs1+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two Cs1+ and two Sb3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-29296
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; CsSbF4; Cs-F-Sb
OSTI Identifier:
1203661
DOI:
https://doi.org/10.17188/1203661

Citation Formats

The Materials Project. Materials Data on CsSbF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203661.
The Materials Project. Materials Data on CsSbF4 by Materials Project. United States. doi:https://doi.org/10.17188/1203661
The Materials Project. 2020. "Materials Data on CsSbF4 by Materials Project". United States. doi:https://doi.org/10.17188/1203661. https://www.osti.gov/servlets/purl/1203661. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1203661,
title = {Materials Data on CsSbF4 by Materials Project},
author = {The Materials Project},
abstractNote = {CsSbF4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 3.24–3.36 Å. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to eleven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.08–3.40 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five F1- atoms to form distorted corner-sharing SbF5 square pyramids. There are a spread of Sb–F bond distances ranging from 1.97–2.32 Å. In the second Sb3+ site, Sb3+ is bonded to five F1- atoms to form distorted corner-sharing SbF5 square pyramids. There are a spread of Sb–F bond distances ranging from 1.98–2.27 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to four 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 distorted single-bond geometry to three Cs1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to three Cs1+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two Cs1+ and two Sb3+ atoms.},
doi = {10.17188/1203661},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}