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Title: Materials Data on KBa4Sb3O by Materials Project

Abstract

KBa4Sb3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded in a square co-planar geometry to four equivalent Sb+2.33- atoms. All K–Sb bond lengths are 3.59 Å. Ba2+ is bonded in a single-bond geometry to five Sb+2.33- and one O2- atom. There are a spread of Ba–Sb bond distances ranging from 3.59–3.87 Å. The Ba–O bond length is 2.57 Å. There are two inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33- is bonded in a 9-coordinate geometry to two equivalent K1+, six equivalent Ba2+, and one Sb+2.33- atom. The Sb–Sb bond length is 2.93 Å. In the second Sb+2.33- site, Sb+2.33- is bonded in a 8-coordinate geometry to eight equivalent Ba2+ atoms. O2- is bonded in a tetrahedral geometry to four equivalent Ba2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-557761
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; KBa4Sb3O; Ba-K-O-Sb
OSTI Identifier:
1269996
DOI:
10.17188/1269996

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KBa4Sb3O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269996.
Persson, Kristin, & Project, Materials. Materials Data on KBa4Sb3O by Materials Project. United States. doi:10.17188/1269996.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KBa4Sb3O by Materials Project". United States. doi:10.17188/1269996. https://www.osti.gov/servlets/purl/1269996. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1269996,
title = {Materials Data on KBa4Sb3O by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KBa4Sb3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded in a square co-planar geometry to four equivalent Sb+2.33- atoms. All K–Sb bond lengths are 3.59 Å. Ba2+ is bonded in a single-bond geometry to five Sb+2.33- and one O2- atom. There are a spread of Ba–Sb bond distances ranging from 3.59–3.87 Å. The Ba–O bond length is 2.57 Å. There are two inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33- is bonded in a 9-coordinate geometry to two equivalent K1+, six equivalent Ba2+, and one Sb+2.33- atom. The Sb–Sb bond length is 2.93 Å. In the second Sb+2.33- site, Sb+2.33- is bonded in a 8-coordinate geometry to eight equivalent Ba2+ atoms. O2- is bonded in a tetrahedral geometry to four equivalent Ba2+ atoms.},
doi = {10.17188/1269996},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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