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Title: Materials Data on Mn(SbS2)2 by Materials Project

Abstract

MnSb2S4 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MnSb2S4 sheets oriented in the (0, 0, 1) direction. Mn2+ is bonded to six S2- atoms to form MnS6 octahedra that share corners with four equivalent SbS5 square pyramids, edges with two equivalent MnS6 octahedra, and edges with six equivalent SbS5 square pyramids. There are two shorter (2.56 Å) and four longer (2.61 Å) Mn–S bond lengths. Sb3+ is bonded to five S2- atoms to form distorted SbS5 square pyramids that share corners with two equivalent MnS6 octahedra, edges with three equivalent MnS6 octahedra, and edges with four equivalent SbS5 square pyramids. The corner-sharing octahedral tilt angles are 12°. There are a spread of Sb–S bond distances ranging from 2.51–3.04 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to one Mn2+ and two equivalent Sb3+ atoms. In the second S2- site, S2- is bonded to two equivalent Mn2+ and three equivalent Sb3+ atoms to form a mixture of distorted edge and corner-sharing SMn2Sb3 square pyramids.

Publication Date:
Other Number(s):
mp-10412
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(SbS2)2; Mn-S-Sb
OSTI Identifier:
1187098
DOI:
10.17188/1187098

Citation Formats

The Materials Project. Materials Data on Mn(SbS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187098.
The Materials Project. Materials Data on Mn(SbS2)2 by Materials Project. United States. doi:10.17188/1187098.
The Materials Project. 2020. "Materials Data on Mn(SbS2)2 by Materials Project". United States. doi:10.17188/1187098. https://www.osti.gov/servlets/purl/1187098. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187098,
title = {Materials Data on Mn(SbS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MnSb2S4 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MnSb2S4 sheets oriented in the (0, 0, 1) direction. Mn2+ is bonded to six S2- atoms to form MnS6 octahedra that share corners with four equivalent SbS5 square pyramids, edges with two equivalent MnS6 octahedra, and edges with six equivalent SbS5 square pyramids. There are two shorter (2.56 Å) and four longer (2.61 Å) Mn–S bond lengths. Sb3+ is bonded to five S2- atoms to form distorted SbS5 square pyramids that share corners with two equivalent MnS6 octahedra, edges with three equivalent MnS6 octahedra, and edges with four equivalent SbS5 square pyramids. The corner-sharing octahedral tilt angles are 12°. There are a spread of Sb–S bond distances ranging from 2.51–3.04 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to one Mn2+ and two equivalent Sb3+ atoms. In the second S2- site, S2- is bonded to two equivalent Mn2+ and three equivalent Sb3+ atoms to form a mixture of distorted edge and corner-sharing SMn2Sb3 square pyramids.},
doi = {10.17188/1187098},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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