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Title: Materials Data on KBi2F7 by Materials Project

Abstract

KBi2F7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.65–3.27 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Bi–F bond distances ranging from 2.19–2.68 Å. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Bi–F bond distances ranging from 2.18–2.76 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Bi3+ atoms. In the second F1- site, F1- is bonded to three equivalent K1+ and one Bi3+ atom to form distorted corner-sharing FK3Bi tetrahedra. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Bi3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent K1+ and one Bi3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to three equivalentmore » Bi3+ atoms. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to two Bi3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-675634
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; KBi2F7; Bi-F-K
OSTI Identifier:
1282780
DOI:
https://doi.org/10.17188/1282780

Citation Formats

The Materials Project. Materials Data on KBi2F7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282780.
The Materials Project. Materials Data on KBi2F7 by Materials Project. United States. doi:https://doi.org/10.17188/1282780
The Materials Project. 2020. "Materials Data on KBi2F7 by Materials Project". United States. doi:https://doi.org/10.17188/1282780. https://www.osti.gov/servlets/purl/1282780. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1282780,
title = {Materials Data on KBi2F7 by Materials Project},
author = {The Materials Project},
abstractNote = {KBi2F7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.65–3.27 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Bi–F bond distances ranging from 2.19–2.68 Å. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Bi–F bond distances ranging from 2.18–2.76 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Bi3+ atoms. In the second F1- site, F1- is bonded to three equivalent K1+ and one Bi3+ atom to form distorted corner-sharing FK3Bi tetrahedra. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Bi3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent K1+ and one Bi3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to two Bi3+ atoms.},
doi = {10.17188/1282780},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}