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

Title: Materials Data on Mn5SnO8 by Materials Project

Abstract

Mn5SnO8 is Spinel-like structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Mn+2.40+ sites. In the first Mn+2.40+ site, Mn+2.40+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent MnO4 tetrahedra, corners with three equivalent SnO4 tetrahedra, and edges with six equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.06–2.32 Å. In the second Mn+2.40+ site, Mn+2.40+ is bonded to four equivalent O2- atoms to form corner-sharing MnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–57°. All Mn–O bond lengths are 2.05 Å. Sn4+ is bonded to four equivalent O2- atoms to form SnO4 tetrahedra that share corners with twelve equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–58°. All Sn–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mn+2.40+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OMn3Sn trigonal pyramids. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Mn+2.40+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1221361
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; Mn5SnO8; Mn-O-Sn
OSTI Identifier:
1738665
DOI:
https://doi.org/10.17188/1738665

Citation Formats

The Materials Project. Materials Data on Mn5SnO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738665.
The Materials Project. Materials Data on Mn5SnO8 by Materials Project. United States. doi:https://doi.org/10.17188/1738665
The Materials Project. 2020. "Materials Data on Mn5SnO8 by Materials Project". United States. doi:https://doi.org/10.17188/1738665. https://www.osti.gov/servlets/purl/1738665. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738665,
title = {Materials Data on Mn5SnO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn5SnO8 is Spinel-like structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Mn+2.40+ sites. In the first Mn+2.40+ site, Mn+2.40+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent MnO4 tetrahedra, corners with three equivalent SnO4 tetrahedra, and edges with six equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.06–2.32 Å. In the second Mn+2.40+ site, Mn+2.40+ is bonded to four equivalent O2- atoms to form corner-sharing MnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–57°. All Mn–O bond lengths are 2.05 Å. Sn4+ is bonded to four equivalent O2- atoms to form SnO4 tetrahedra that share corners with twelve equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–58°. All Sn–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mn+2.40+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OMn3Sn trigonal pyramids. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Mn+2.40+ atoms.},
doi = {10.17188/1738665},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}