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Title: Materials Data on Cs4Sb2O5 by Materials Project

Abstract

Cs4Sb2O5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.93 Å) and two longer (3.00 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.17–3.55 Å. In the third Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.50 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.21–3.33 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.94 Å) and one longer (2.03 Å) Sb–O bond length. In the second Sb3+ site, Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.94 Å) and one longer (2.04 Å) Sb–Omore » bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Cs1+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Sb3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Cs1+ and two Sb3+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-553374
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs4Sb2O5; Cs-O-Sb
OSTI Identifier:
1267615
DOI:
10.17188/1267615

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cs4Sb2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267615.
Persson, Kristin, & Project, Materials. Materials Data on Cs4Sb2O5 by Materials Project. United States. doi:10.17188/1267615.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cs4Sb2O5 by Materials Project". United States. doi:10.17188/1267615. https://www.osti.gov/servlets/purl/1267615. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267615,
title = {Materials Data on Cs4Sb2O5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cs4Sb2O5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.93 Å) and two longer (3.00 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.17–3.55 Å. In the third Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.50 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.21–3.33 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.94 Å) and one longer (2.03 Å) Sb–O bond length. In the second Sb3+ site, Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.94 Å) and one longer (2.04 Å) Sb–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Cs1+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Sb3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Cs1+ and two Sb3+ atoms.},
doi = {10.17188/1267615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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