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Title: Materials Data on Mn(InS2)2 by Materials Project

Abstract

MnIn2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with twelve equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mn–S bond lengths are 2.43 Å. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with six equivalent MnS4 tetrahedra and edges with six equivalent InS6 octahedra. All In–S bond lengths are 2.65 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mn2+ and three equivalent In3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-22168
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; Mn(InS2)2; In-Mn-S
OSTI Identifier:
1197394
DOI:
10.17188/1197394

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mn(InS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197394.
Persson, Kristin, & Project, Materials. Materials Data on Mn(InS2)2 by Materials Project. United States. doi:10.17188/1197394.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mn(InS2)2 by Materials Project". United States. doi:10.17188/1197394. https://www.osti.gov/servlets/purl/1197394. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1197394,
title = {Materials Data on Mn(InS2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MnIn2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with twelve equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mn–S bond lengths are 2.43 Å. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with six equivalent MnS4 tetrahedra and edges with six equivalent InS6 octahedra. All In–S bond lengths are 2.65 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mn2+ and three equivalent In3+ atoms.},
doi = {10.17188/1197394},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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