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Title: Materials Data on KSbO3 by Materials Project

Abstract

KSbO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.50–2.86 Å. Sb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 1.88–2.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent K1+ and one Sb5+ atom to form OK3Sb tetrahedra that share corners with five OK3Sb tetrahedra, corners with six equivalent OKSb3 trigonal pyramids, and edges with three OK3Sb tetrahedra. In the second O2- site, O2- is bonded to one K1+ and three equivalent Sb5+ atoms to form distorted OKSb3 trigonal pyramids that share corners with eleven OK3Sb tetrahedra, corners with two equivalent OKSb3 trigonal pyramids, an edgeedge with one OKSb2O tetrahedra, and edges with two equivalent OKSb3 trigonal pyramids. In the third O2- site, O2- is bonded to one K1+, two equivalent Sb5+, and one O2- atom to form distorted OKSb2O tetrahedra that share corners with three equivalent OK3Sb tetrahedra, corners with five equivalent OKSb3 trigonal pyramids, edges with two OK3Sb tetrahedra, and an edgeedgemore » with one OKSb3 trigonal pyramid. The O–O bond length is 1.48 Å.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-635067
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; KSbO3; K-O-Sb
OSTI Identifier:
1279532
DOI:
10.17188/1279532

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KSbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279532.
Persson, Kristin, & Project, Materials. Materials Data on KSbO3 by Materials Project. United States. doi:10.17188/1279532.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KSbO3 by Materials Project". United States. doi:10.17188/1279532. https://www.osti.gov/servlets/purl/1279532. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1279532,
title = {Materials Data on KSbO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KSbO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.50–2.86 Å. Sb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 1.88–2.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent K1+ and one Sb5+ atom to form OK3Sb tetrahedra that share corners with five OK3Sb tetrahedra, corners with six equivalent OKSb3 trigonal pyramids, and edges with three OK3Sb tetrahedra. In the second O2- site, O2- is bonded to one K1+ and three equivalent Sb5+ atoms to form distorted OKSb3 trigonal pyramids that share corners with eleven OK3Sb tetrahedra, corners with two equivalent OKSb3 trigonal pyramids, an edgeedge with one OKSb2O tetrahedra, and edges with two equivalent OKSb3 trigonal pyramids. In the third O2- site, O2- is bonded to one K1+, two equivalent Sb5+, and one O2- atom to form distorted OKSb2O tetrahedra that share corners with three equivalent OK3Sb tetrahedra, corners with five equivalent OKSb3 trigonal pyramids, edges with two OK3Sb tetrahedra, and an edgeedge with one OKSb3 trigonal pyramid. The O–O bond length is 1.48 Å.},
doi = {10.17188/1279532},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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