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Title: Materials Data on Li2Mn5O10 by Materials Project

Abstract

Li2Mn5O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with five MnO6 octahedra, edges with two equivalent LiO6 octahedra, and edges with five MnO6 octahedra. The corner-sharing octahedra tilt angles range from 7–25°. There are a spread of Li–O bond distances ranging from 2.05–2.47 Å. There are three inequivalent Mn+3.60+ sites. In the first Mn+3.60+ site, Mn+3.60+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one MnO6 octahedra, corners with two equivalent LiO6 octahedra, edges with three equivalent LiO6 octahedra, and edges with five MnO6 octahedra. The corner-sharing octahedra tilt angles range from 12–25°. There are a spread of Mn–O bond distances ranging from 1.87–2.04 Å. In the second Mn+3.60+ site, Mn+3.60+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four MnO6 octahedra, edges with two equivalent LiO6 octahedra, and edges with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 12–13°. There are a spread of Mn–O bond distances ranging from 2.04–2.18 Å. In the third Mn+3.60+ site, Mn+3.60+ is bonded to six O2- atoms to formmore » MnO6 octahedra that share a cornercorner with one MnO6 octahedra, corners with three equivalent LiO6 octahedra, an edgeedge with one LiO6 octahedra, and edges with seven MnO6 octahedra. The corner-sharing octahedra tilt angles range from 7–19°. There are a spread of Mn–O bond distances ranging from 1.87–2.08 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and four Mn+3.60+ atoms to form a mixture of distorted edge and corner-sharing OLiMn4 square pyramids. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Mn+3.60+ atoms. In the third O2- site, O2- is bonded in a see-saw-like geometry to four Mn+3.60+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Mn+3.60+ atoms. In the fifth O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+ and two Mn+3.60+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-763695
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; Li2Mn5O10; Li-Mn-O
OSTI Identifier:
1293788
DOI:
https://doi.org/10.17188/1293788

Citation Formats

The Materials Project. Materials Data on Li2Mn5O10 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1293788.
The Materials Project. Materials Data on Li2Mn5O10 by Materials Project. United States. doi:https://doi.org/10.17188/1293788
The Materials Project. 2017. "Materials Data on Li2Mn5O10 by Materials Project". United States. doi:https://doi.org/10.17188/1293788. https://www.osti.gov/servlets/purl/1293788. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1293788,
title = {Materials Data on Li2Mn5O10 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Mn5O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with five MnO6 octahedra, edges with two equivalent LiO6 octahedra, and edges with five MnO6 octahedra. The corner-sharing octahedra tilt angles range from 7–25°. There are a spread of Li–O bond distances ranging from 2.05–2.47 Å. There are three inequivalent Mn+3.60+ sites. In the first Mn+3.60+ site, Mn+3.60+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one MnO6 octahedra, corners with two equivalent LiO6 octahedra, edges with three equivalent LiO6 octahedra, and edges with five MnO6 octahedra. The corner-sharing octahedra tilt angles range from 12–25°. There are a spread of Mn–O bond distances ranging from 1.87–2.04 Å. In the second Mn+3.60+ site, Mn+3.60+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four MnO6 octahedra, edges with two equivalent LiO6 octahedra, and edges with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 12–13°. There are a spread of Mn–O bond distances ranging from 2.04–2.18 Å. In the third Mn+3.60+ site, Mn+3.60+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one MnO6 octahedra, corners with three equivalent LiO6 octahedra, an edgeedge with one LiO6 octahedra, and edges with seven MnO6 octahedra. The corner-sharing octahedra tilt angles range from 7–19°. There are a spread of Mn–O bond distances ranging from 1.87–2.08 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and four Mn+3.60+ atoms to form a mixture of distorted edge and corner-sharing OLiMn4 square pyramids. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Mn+3.60+ atoms. In the third O2- site, O2- is bonded in a see-saw-like geometry to four Mn+3.60+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Mn+3.60+ atoms. In the fifth O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+ and two Mn+3.60+ atoms.},
doi = {10.17188/1293788},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}