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Title: Materials Data on KBiF4 by Materials Project

Abstract

KBiF4 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are two shorter (2.56 Å) and six longer (2.80 Å) K–F bond lengths. Bi3+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are six shorter (2.37 Å) and two longer (2.56 Å) Bi–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent K1+ atoms to form FK4 tetrahedra that share corners with sixteen FK4 tetrahedra and edges with six equivalent FK2Bi2 tetrahedra. In the second F1- site, F1- is bonded to two equivalent K1+ and two equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing FK2Bi2 tetrahedra. In the third F1- site, F1- is bonded to four equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing FBi4 tetrahedra.

Publication Date:
Other Number(s):
mp-581857
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; KBiF4; Bi-F-K
OSTI Identifier:
1276905
DOI:
https://doi.org/10.17188/1276905

Citation Formats

The Materials Project. Materials Data on KBiF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276905.
The Materials Project. Materials Data on KBiF4 by Materials Project. United States. doi:https://doi.org/10.17188/1276905
The Materials Project. 2020. "Materials Data on KBiF4 by Materials Project". United States. doi:https://doi.org/10.17188/1276905. https://www.osti.gov/servlets/purl/1276905. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1276905,
title = {Materials Data on KBiF4 by Materials Project},
author = {The Materials Project},
abstractNote = {KBiF4 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are two shorter (2.56 Å) and six longer (2.80 Å) K–F bond lengths. Bi3+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are six shorter (2.37 Å) and two longer (2.56 Å) Bi–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent K1+ atoms to form FK4 tetrahedra that share corners with sixteen FK4 tetrahedra and edges with six equivalent FK2Bi2 tetrahedra. In the second F1- site, F1- is bonded to two equivalent K1+ and two equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing FK2Bi2 tetrahedra. In the third F1- site, F1- is bonded to four equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing FBi4 tetrahedra.},
doi = {10.17188/1276905},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}