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Title: Materials Data on CsBe2BO3F2 by Materials Project

Abstract

CsBe2BO3F2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent BeO3F tetrahedra and edges with six equivalent CsF6 octahedra. All Cs–F bond lengths are 3.03 Å. Be2+ is bonded to three equivalent O2- and one F1- atom to form BeO3F tetrahedra that share corners with three equivalent CsF6 octahedra and corners with three equivalent BeO3F tetrahedra. The corner-sharing octahedral tilt angles are 59°. All Be–O bond lengths are 1.65 Å. The Be–F bond length is 1.56 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. O2- is bonded in a trigonal planar geometry to two equivalent Be2+ and one B3+ atom. F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one Be2+ atom.

Publication Date:
Other Number(s):
mp-553342
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; CsBe2BO3F2; B-Be-Cs-F-O
OSTI Identifier:
1267613
DOI:
10.17188/1267613

Citation Formats

The Materials Project. Materials Data on CsBe2BO3F2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267613.
The Materials Project. Materials Data on CsBe2BO3F2 by Materials Project. United States. doi:10.17188/1267613.
The Materials Project. 2020. "Materials Data on CsBe2BO3F2 by Materials Project". United States. doi:10.17188/1267613. https://www.osti.gov/servlets/purl/1267613. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267613,
title = {Materials Data on CsBe2BO3F2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsBe2BO3F2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent BeO3F tetrahedra and edges with six equivalent CsF6 octahedra. All Cs–F bond lengths are 3.03 Å. Be2+ is bonded to three equivalent O2- and one F1- atom to form BeO3F tetrahedra that share corners with three equivalent CsF6 octahedra and corners with three equivalent BeO3F tetrahedra. The corner-sharing octahedral tilt angles are 59°. All Be–O bond lengths are 1.65 Å. The Be–F bond length is 1.56 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. O2- is bonded in a trigonal planar geometry to two equivalent Be2+ and one B3+ atom. F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one Be2+ atom.},
doi = {10.17188/1267613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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