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Title: Materials Data on Li4Be3P3BrO12 by Materials Project

Abstract

Li4Be3P3O12Br crystallizes in the cubic P-43n space group. The structure is three-dimensional. Li1+ is bonded to three equivalent O2- and one Br1- atom to form LiBrO3 tetrahedra that share corners with three equivalent LiBrO3 tetrahedra, corners with three equivalent BeO4 tetrahedra, and corners with three equivalent PO4 tetrahedra. All Li–O bond lengths are 2.00 Å. The Li–Br bond length is 2.60 Å. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent LiBrO3 tetrahedra and corners with four equivalent PO4 tetrahedra. All Be–O bond lengths are 1.64 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiBrO3 tetrahedra and corners with four equivalent BeO4 tetrahedra. All P–O bond lengths are 1.55 Å. O2- is bonded in a trigonal planar geometry to one Li1+, one Be2+, and one P5+ atom. Br1- is bonded in a tetrahedral geometry to four equivalent Li1+ atoms.

Publication Date:
Other Number(s):
mp-554560
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; Li4Be3P3BrO12; Be-Br-Li-O-P
OSTI Identifier:
1267953
DOI:
10.17188/1267953

Citation Formats

The Materials Project. Materials Data on Li4Be3P3BrO12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267953.
The Materials Project. Materials Data on Li4Be3P3BrO12 by Materials Project. United States. doi:10.17188/1267953.
The Materials Project. 2020. "Materials Data on Li4Be3P3BrO12 by Materials Project". United States. doi:10.17188/1267953. https://www.osti.gov/servlets/purl/1267953. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1267953,
title = {Materials Data on Li4Be3P3BrO12 by Materials Project},
author = {The Materials Project},
abstractNote = {Li4Be3P3O12Br crystallizes in the cubic P-43n space group. The structure is three-dimensional. Li1+ is bonded to three equivalent O2- and one Br1- atom to form LiBrO3 tetrahedra that share corners with three equivalent LiBrO3 tetrahedra, corners with three equivalent BeO4 tetrahedra, and corners with three equivalent PO4 tetrahedra. All Li–O bond lengths are 2.00 Å. The Li–Br bond length is 2.60 Å. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent LiBrO3 tetrahedra and corners with four equivalent PO4 tetrahedra. All Be–O bond lengths are 1.64 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiBrO3 tetrahedra and corners with four equivalent BeO4 tetrahedra. All P–O bond lengths are 1.55 Å. O2- is bonded in a trigonal planar geometry to one Li1+, one Be2+, and one P5+ atom. Br1- is bonded in a tetrahedral geometry to four equivalent Li1+ atoms.},
doi = {10.17188/1267953},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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