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Title: Materials Data on K2BeF4 by Materials Project

Abstract

K2BeF4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.70–3.12 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.68–3.11 Å. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.55–1.58 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to five K1+ and one Be2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to five K1+ and one Be2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to four K1+ and one Be2+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to five K1+ and one Be2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5185
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; K2BeF4; Be-F-K
OSTI Identifier:
1263134
DOI:
10.17188/1263134

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2BeF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263134.
Persson, Kristin, & Project, Materials. Materials Data on K2BeF4 by Materials Project. United States. doi:10.17188/1263134.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2BeF4 by Materials Project". United States. doi:10.17188/1263134. https://www.osti.gov/servlets/purl/1263134. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1263134,
title = {Materials Data on K2BeF4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2BeF4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.70–3.12 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.68–3.11 Å. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.55–1.58 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to five K1+ and one Be2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to five K1+ and one Be2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to four K1+ and one Be2+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to five K1+ and one Be2+ atom.},
doi = {10.17188/1263134},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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