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Title: Materials Data on LiAl2BrO6 by Materials Project

Abstract

LiAl2O6Br crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of four hydrobromic acid molecules and two LiAl2O6 sheets oriented in the (0, 0, 1) direction. In each LiAl2O6 sheet, Li1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.42–2.53 Å. Al3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.84–1.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Al3+, and one O2- atom. The O–O bond length is 1.64 Å. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Al3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Al3+, and one O2- atom.

Publication Date:
Other Number(s):
mp-1180582
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; LiAl2BrO6; Al-Br-Li-O
OSTI Identifier:
1652802
DOI:
https://doi.org/10.17188/1652802

Citation Formats

The Materials Project. Materials Data on LiAl2BrO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652802.
The Materials Project. Materials Data on LiAl2BrO6 by Materials Project. United States. doi:https://doi.org/10.17188/1652802
The Materials Project. 2020. "Materials Data on LiAl2BrO6 by Materials Project". United States. doi:https://doi.org/10.17188/1652802. https://www.osti.gov/servlets/purl/1652802. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1652802,
title = {Materials Data on LiAl2BrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAl2O6Br crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of four hydrobromic acid molecules and two LiAl2O6 sheets oriented in the (0, 0, 1) direction. In each LiAl2O6 sheet, Li1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.42–2.53 Å. Al3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.84–1.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Al3+, and one O2- atom. The O–O bond length is 1.64 Å. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Al3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Al3+, and one O2- atom.},
doi = {10.17188/1652802},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}