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Title: Materials Data on KSbO3 by Materials Project

Abstract

KSbO3 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 2.66 Å. In the second K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are three shorter (2.71 Å) and three longer (2.93 Å) K–O bond lengths. Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Sb–O bond distances ranging from 2.00–2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded to two K1+ and two equivalent Sb5+ atoms to form a mixture of distorted edge and corner-sharing OK2Sb2 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-14607
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; KSbO3; K-O-Sb
OSTI Identifier:
1190788
DOI:
https://doi.org/10.17188/1190788

Citation Formats

The Materials Project. Materials Data on KSbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190788.
The Materials Project. Materials Data on KSbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1190788
The Materials Project. 2020. "Materials Data on KSbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1190788. https://www.osti.gov/servlets/purl/1190788. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1190788,
title = {Materials Data on KSbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {KSbO3 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 2.66 Å. In the second K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are three shorter (2.71 Å) and three longer (2.93 Å) K–O bond lengths. Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Sb–O bond distances ranging from 2.00–2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded to two K1+ and two equivalent Sb5+ atoms to form a mixture of distorted edge and corner-sharing OK2Sb2 trigonal pyramids.},
doi = {10.17188/1190788},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}