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Title: Materials Data on LiMnSiO4 by Materials Project

Abstract

Li1MnSiO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Li1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.89–2.04 Å. Mn3+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share corners with five equivalent SiO4 tetrahedra, corners with two equivalent MnO5 trigonal bipyramids, and an edgeedge with one MnO5 trigonal bipyramid. There are a spread of Mn–O bond distances ranging from 1.89–2.09 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with five equivalent MnO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.59–1.69 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Mn3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a trigonal planarmore » geometry to two equivalent Mn3+ and one Si4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-775156
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; LiMnSiO4; Li-Mn-O-Si
OSTI Identifier:
1302814
DOI:
10.17188/1302814

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiMnSiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302814.
Persson, Kristin, & Project, Materials. Materials Data on LiMnSiO4 by Materials Project. United States. doi:10.17188/1302814.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LiMnSiO4 by Materials Project". United States. doi:10.17188/1302814. https://www.osti.gov/servlets/purl/1302814. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1302814,
title = {Materials Data on LiMnSiO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li1MnSiO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Li1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.89–2.04 Å. Mn3+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share corners with five equivalent SiO4 tetrahedra, corners with two equivalent MnO5 trigonal bipyramids, and an edgeedge with one MnO5 trigonal bipyramid. There are a spread of Mn–O bond distances ranging from 1.89–2.09 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with five equivalent MnO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.59–1.69 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Mn3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mn3+ and one Si4+ atom.},
doi = {10.17188/1302814},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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