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Title: Materials Data on Mn2SnO4 by Materials Project

Abstract

Mn2SnO4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with six equivalent MnO6 octahedra and corners with six equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–60°. There are two shorter (2.09 Å) and two longer (2.15 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent MnO6 octahedra, and edges with four equivalent SnO6 octahedra. There are four shorter (2.19 Å) and two longer (2.27 Å) Mn–O bond lengths. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent SnO6 octahedra, and edges with four equivalent MnO6 octahedra. There are two shorter (2.07 Å) and four longer (2.15 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Mn2+ and two equivalent Sn4+ atoms. Inmore » the second O2- site, O2- is bonded to three Mn2+ and one Sn4+ atom to form a mixture of distorted corner and edge-sharing OMn3Sn trigonal pyramids.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-36884
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; Mn2SnO4; Mn-O-Sn
OSTI Identifier:
1207259
DOI:
10.17188/1207259

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mn2SnO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207259.
Persson, Kristin, & Project, Materials. Materials Data on Mn2SnO4 by Materials Project. United States. doi:10.17188/1207259.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mn2SnO4 by Materials Project". United States. doi:10.17188/1207259. https://www.osti.gov/servlets/purl/1207259. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1207259,
title = {Materials Data on Mn2SnO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mn2SnO4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with six equivalent MnO6 octahedra and corners with six equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–60°. There are two shorter (2.09 Å) and two longer (2.15 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent MnO6 octahedra, and edges with four equivalent SnO6 octahedra. There are four shorter (2.19 Å) and two longer (2.27 Å) Mn–O bond lengths. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent SnO6 octahedra, and edges with four equivalent MnO6 octahedra. There are two shorter (2.07 Å) and four longer (2.15 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Mn2+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded to three Mn2+ and one Sn4+ atom to form a mixture of distorted corner and edge-sharing OMn3Sn trigonal pyramids.},
doi = {10.17188/1207259},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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