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Title: Materials Data on Cs2BeF4 by Materials Project

Abstract

Cs2BeF4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Cs–F bond distances ranging from 3.01–3.34 Å. In the second Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.16–3.61 Å. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.57–1.59 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to five Cs1+ and one Be2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to five Cs1+ and one Be2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to five Cs1+ and one Be2+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to five Cs1+ and one Be2+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1208561
Report Number(s):
mp-5013
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Cs2BeF4; Be-Cs-F

Citation Formats

The Materials Project. Materials Data on Cs2BeF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208561.
The Materials Project. Materials Data on Cs2BeF4 by Materials Project. United States. https://doi.org/10.17188/1208561
The Materials Project. 2020. "Materials Data on Cs2BeF4 by Materials Project". United States. https://doi.org/10.17188/1208561. https://www.osti.gov/servlets/purl/1208561.
@article{osti_1208561,
title = {Materials Data on Cs2BeF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2BeF4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Cs–F bond distances ranging from 3.01–3.34 Å. In the second Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.16–3.61 Å. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.57–1.59 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to five Cs1+ and one Be2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to five Cs1+ and one Be2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to five Cs1+ and one Be2+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to five Cs1+ and one Be2+ atom.},
doi = {10.17188/1208561},
url = {https://www.osti.gov/biblio/1208561}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}