DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Li2MnAl2O6 by Materials Project

Abstract

Li2MnAl2O6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.04 Å) and two longer (2.07 Å) Li–O bond lengths. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with six equivalent AlO6 octahedra. There is two shorter (1.91 Å) and four longer (1.97 Å) Mn–O bond length. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share edges with three equivalent MnO6 octahedra and edges with three equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Mn4+, and two equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OLi2MnAl2 trigonal bipyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mn4+ and two equivalent Al3+ atoms.

Publication Date:
Other Number(s):
mp-770689
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; Li2MnAl2O6; Al-Li-Mn-O
OSTI Identifier:
1300016
DOI:
https://doi.org/10.17188/1300016

Citation Formats

The Materials Project. Materials Data on Li2MnAl2O6 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1300016.
The Materials Project. Materials Data on Li2MnAl2O6 by Materials Project. United States. doi:https://doi.org/10.17188/1300016
The Materials Project. 2017. "Materials Data on Li2MnAl2O6 by Materials Project". United States. doi:https://doi.org/10.17188/1300016. https://www.osti.gov/servlets/purl/1300016. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1300016,
title = {Materials Data on Li2MnAl2O6 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2MnAl2O6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.04 Å) and two longer (2.07 Å) Li–O bond lengths. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with six equivalent AlO6 octahedra. There is two shorter (1.91 Å) and four longer (1.97 Å) Mn–O bond length. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share edges with three equivalent MnO6 octahedra and edges with three equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Mn4+, and two equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OLi2MnAl2 trigonal bipyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mn4+ and two equivalent Al3+ atoms.},
doi = {10.17188/1300016},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}