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Title: Materials Data on Sc2MnS4 by Materials Project

Abstract

MnSc2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent S2- atoms to form ScS6 octahedra that share corners with six equivalent MnS4 tetrahedra and edges with six equivalent ScS6 octahedra. All Sc–S bond lengths are 2.59 Å. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with twelve equivalent ScS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Mn–S bond lengths are 2.41 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sc3+ and one Mn2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3930
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; Sc2MnS4; Mn-S-Sc
OSTI Identifier:
1207642
DOI:
10.17188/1207642

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sc2MnS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207642.
Persson, Kristin, & Project, Materials. Materials Data on Sc2MnS4 by Materials Project. United States. doi:10.17188/1207642.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sc2MnS4 by Materials Project". United States. doi:10.17188/1207642. https://www.osti.gov/servlets/purl/1207642. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1207642,
title = {Materials Data on Sc2MnS4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MnSc2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent S2- atoms to form ScS6 octahedra that share corners with six equivalent MnS4 tetrahedra and edges with six equivalent ScS6 octahedra. All Sc–S bond lengths are 2.59 Å. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with twelve equivalent ScS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Mn–S bond lengths are 2.41 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sc3+ and one Mn2+ atom.},
doi = {10.17188/1207642},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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