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Title: Materials Data on KSr(BiO3)2 by Materials Project

Abstract

KSr(BiO3)2 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K is bonded to eight O atoms to form distorted KO8 cuboctahedra that share corners with four equivalent KO8 cuboctahedra and edges with eight equivalent BiO6 octahedra. There are four shorter (2.83 Å) and four longer (3.00 Å) K–O bond lengths. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.59 Å) and four longer (3.00 Å) Sr–O bond lengths. Bi is bonded to six O atoms to form BiO6 octahedra that share corners with six equivalent BiO6 octahedra and edges with four equivalent KO8 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–28°. All Bi–O bond lengths are 2.18 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to one K, one Sr, and two equivalent Bi atoms. In the second O site, O is bonded to two equivalent K, two equivalent Sr, and two equivalent Bi atoms to form a mixture of distorted edge and corner-sharing OK2Sr2Bi2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1223282
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; KSr(BiO3)2; Bi-K-O-Sr
OSTI Identifier:
1685298
DOI:
https://doi.org/10.17188/1685298

Citation Formats

The Materials Project. Materials Data on KSr(BiO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685298.
The Materials Project. Materials Data on KSr(BiO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685298
The Materials Project. 2020. "Materials Data on KSr(BiO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685298. https://www.osti.gov/servlets/purl/1685298. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685298,
title = {Materials Data on KSr(BiO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KSr(BiO3)2 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K is bonded to eight O atoms to form distorted KO8 cuboctahedra that share corners with four equivalent KO8 cuboctahedra and edges with eight equivalent BiO6 octahedra. There are four shorter (2.83 Å) and four longer (3.00 Å) K–O bond lengths. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.59 Å) and four longer (3.00 Å) Sr–O bond lengths. Bi is bonded to six O atoms to form BiO6 octahedra that share corners with six equivalent BiO6 octahedra and edges with four equivalent KO8 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–28°. All Bi–O bond lengths are 2.18 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to one K, one Sr, and two equivalent Bi atoms. In the second O site, O is bonded to two equivalent K, two equivalent Sr, and two equivalent Bi atoms to form a mixture of distorted edge and corner-sharing OK2Sr2Bi2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1685298},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}