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

Title: Materials Data on LiMnSiO4 by Materials Project

Abstract

Li1MnSiO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with five equivalent MnO5 square pyramids and corners with four equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.22 Å. Mn3+ is bonded to five O2- atoms to form distorted MnO5 square pyramids that share corners with two equivalent MnO5 square pyramids, corners with three equivalent SiO4 tetrahedra, corners with five equivalent LiO4 tetrahedra, and an edgeedge with one SiO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.92–2.32 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent MnO5 square pyramids, corners with four equivalent LiO4 tetrahedra, and an edgeedge with one MnO5 square pyramid. There are a spread of Si–O bond distances ranging from 1.62–1.69 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Mn3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Mn3+, and one Si4+more » atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Mn3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Mn3+, and one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-850969
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:
1308871
DOI:
https://doi.org/10.17188/1308871

Citation Formats

The Materials Project. Materials Data on LiMnSiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308871.
The Materials Project. Materials Data on LiMnSiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1308871
The Materials Project. 2020. "Materials Data on LiMnSiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1308871. https://www.osti.gov/servlets/purl/1308871. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1308871,
title = {Materials Data on LiMnSiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li1MnSiO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with five equivalent MnO5 square pyramids and corners with four equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.22 Å. Mn3+ is bonded to five O2- atoms to form distorted MnO5 square pyramids that share corners with two equivalent MnO5 square pyramids, corners with three equivalent SiO4 tetrahedra, corners with five equivalent LiO4 tetrahedra, and an edgeedge with one SiO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.92–2.32 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent MnO5 square pyramids, corners with four equivalent LiO4 tetrahedra, and an edgeedge with one MnO5 square pyramid. There are a spread of Si–O bond distances ranging from 1.62–1.69 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Mn3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Mn3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Mn3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Mn3+, and one Si4+ atom.},
doi = {10.17188/1308871},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}