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Title: Materials Data on LiMnSiO4 by Materials Project

Abstract

Li1MnSiO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with six equivalent MnO6 octahedra and corners with four equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 73–74°. There are a spread of Li–O bond distances ranging from 2.02–2.18 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO4 tetrahedra, corners with six equivalent SiO4 tetrahedra, and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.25 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent MnO6 octahedra and corners with four equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–57°. There is three shorter (1.64 Å) and one longer (1.70 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Mn3+, and one Si4+ atom. In the second O2- site, O2- is bonded to one Li1+, two equivalent Mn3+, and one Si4+ atom to form amore » mixture of distorted edge and corner-sharing OLiMn2Si tetrahedra. In the third O2- site, O2- is bonded to one Li1+, two equivalent Mn3+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLiMn2Si tetrahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-780533
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:
1307084
DOI:
10.17188/1307084

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiMnSiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307084.
Persson, Kristin, & Project, Materials. Materials Data on LiMnSiO4 by Materials Project. United States. doi:10.17188/1307084.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LiMnSiO4 by Materials Project". United States. doi:10.17188/1307084. https://www.osti.gov/servlets/purl/1307084. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1307084,
title = {Materials Data on LiMnSiO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li1MnSiO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with six equivalent MnO6 octahedra and corners with four equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 73–74°. There are a spread of Li–O bond distances ranging from 2.02–2.18 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO4 tetrahedra, corners with six equivalent SiO4 tetrahedra, and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.25 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent MnO6 octahedra and corners with four equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–57°. There is three shorter (1.64 Å) and one longer (1.70 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Mn3+, and one Si4+ atom. In the second O2- site, O2- is bonded to one Li1+, two equivalent Mn3+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLiMn2Si tetrahedra. In the third O2- site, O2- is bonded to one Li1+, two equivalent Mn3+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLiMn2Si tetrahedra.},
doi = {10.17188/1307084},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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