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Title: Materials Data on Li2Mn3SbO8 by Materials Project

Abstract

Li2Mn3SbO8 is Spinel-derived structured and crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent SbO6 octahedra and corners with nine equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–61°. There are three shorter (2.01 Å) and one longer (2.24 Å) Li–O bond lengths. Mn+3.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent SbO6 octahedra, and edges with four equivalent MnO6 octahedra. There are four shorter (2.01 Å) and two longer (2.17 Å) Mn–O bond lengths. Sb3+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent MnO6 octahedra. All Sb–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two equivalent Mn+3.67+, and one Sb3+ atom. In the second O2- site, O2- is bonded to one Li1+ and three equivalent Mn+3.67+ atoms to form distorted corner-sharing OLiMn3 tetrahedra.

Publication Date:
Other Number(s):
mp-776741
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; Li2Mn3SbO8; Li-Mn-O-Sb
OSTI Identifier:
1304413
DOI:
10.17188/1304413

Citation Formats

The Materials Project. Materials Data on Li2Mn3SbO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304413.
The Materials Project. Materials Data on Li2Mn3SbO8 by Materials Project. United States. doi:10.17188/1304413.
The Materials Project. 2020. "Materials Data on Li2Mn3SbO8 by Materials Project". United States. doi:10.17188/1304413. https://www.osti.gov/servlets/purl/1304413. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1304413,
title = {Materials Data on Li2Mn3SbO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Mn3SbO8 is Spinel-derived structured and crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent SbO6 octahedra and corners with nine equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–61°. There are three shorter (2.01 Å) and one longer (2.24 Å) Li–O bond lengths. Mn+3.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent SbO6 octahedra, and edges with four equivalent MnO6 octahedra. There are four shorter (2.01 Å) and two longer (2.17 Å) Mn–O bond lengths. Sb3+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent MnO6 octahedra. All Sb–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two equivalent Mn+3.67+, and one Sb3+ atom. In the second O2- site, O2- is bonded to one Li1+ and three equivalent Mn+3.67+ atoms to form distorted corner-sharing OLiMn3 tetrahedra.},
doi = {10.17188/1304413},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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