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Title: Materials Data on KBiF6 by Materials Project

Abstract

KBiF6 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.65 Å) and four longer (3.12 Å) K–F bond lengths. Bi5+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.05 Å) and two longer (2.06 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Bi5+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Bi5+ atom.

Publication Date:
Other Number(s):
mp-557724
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; KBiF6; Bi-F-K
OSTI Identifier:
1269975
DOI:
10.17188/1269975

Citation Formats

The Materials Project. Materials Data on KBiF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269975.
The Materials Project. Materials Data on KBiF6 by Materials Project. United States. doi:10.17188/1269975.
The Materials Project. 2020. "Materials Data on KBiF6 by Materials Project". United States. doi:10.17188/1269975. https://www.osti.gov/servlets/purl/1269975. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1269975,
title = {Materials Data on KBiF6 by Materials Project},
author = {The Materials Project},
abstractNote = {KBiF6 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.65 Å) and four longer (3.12 Å) K–F bond lengths. Bi5+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.05 Å) and two longer (2.06 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Bi5+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Bi5+ atom.},
doi = {10.17188/1269975},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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