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Title: Materials Data on Mg(MnS2)2 by Materials Project

Abstract

Mg(MnS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent S2- atoms to form MgS4 tetrahedra that share corners with twelve equivalent MnS6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. All Mg–S bond lengths are 2.45 Å. Mn3+ is bonded to six equivalent S2- atoms to form MnS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent MnS6 octahedra. There are four shorter (2.43 Å) and two longer (2.53 Å) Mn–S bond lengths. S2- is bonded to one Mg2+ and three equivalent Mn3+ atoms to form a mixture of distorted corner and edge-sharing SMgMn3 trigonal pyramids.

Publication Date:
Other Number(s):
mvc-22
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; Mg(MnS2)2; Mg-Mn-S
OSTI Identifier:
1320101
DOI:
https://doi.org/10.17188/1320101

Citation Formats

The Materials Project. Materials Data on Mg(MnS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320101.
The Materials Project. Materials Data on Mg(MnS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1320101
The Materials Project. 2020. "Materials Data on Mg(MnS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1320101. https://www.osti.gov/servlets/purl/1320101. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1320101,
title = {Materials Data on Mg(MnS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(MnS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent S2- atoms to form MgS4 tetrahedra that share corners with twelve equivalent MnS6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. All Mg–S bond lengths are 2.45 Å. Mn3+ is bonded to six equivalent S2- atoms to form MnS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent MnS6 octahedra. There are four shorter (2.43 Å) and two longer (2.53 Å) Mn–S bond lengths. S2- is bonded to one Mg2+ and three equivalent Mn3+ atoms to form a mixture of distorted corner and edge-sharing SMgMn3 trigonal pyramids.},
doi = {10.17188/1320101},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}