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Title: Materials Data on LiMnB2O5 by Materials Project

Abstract

LiMnB2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.23 Å. Mn3+ is bonded to five O2- atoms to form distorted edge-sharing MnO5 square pyramids. There are a spread of Mn–O bond distances ranging from 1.93–2.30 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.40 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Mn3+, and one B3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Mn3+, and one B3+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the fourth O2- site, O2- is bonded inmore » a 3-coordinate geometry to one Li1+, one Mn3+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Mn3+, and one B3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-771303
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiMnB2O5; B-Li-Mn-O
OSTI Identifier:
1300438
DOI:
https://doi.org/10.17188/1300438

Citation Formats

The Materials Project. Materials Data on LiMnB2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300438.
The Materials Project. Materials Data on LiMnB2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1300438
The Materials Project. 2020. "Materials Data on LiMnB2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1300438. https://www.osti.gov/servlets/purl/1300438. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1300438,
title = {Materials Data on LiMnB2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiMnB2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.23 Å. Mn3+ is bonded to five O2- atoms to form distorted edge-sharing MnO5 square pyramids. There are a spread of Mn–O bond distances ranging from 1.93–2.30 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.40 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Mn3+, and one B3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Mn3+, and one B3+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Mn3+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Mn3+, and one B3+ atom.},
doi = {10.17188/1300438},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}