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Title: Materials Data on Cs2Mn3S4 by Materials Project

Abstract

Cs2Mn3S4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.68–3.77 Å. There are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four S2- atoms to form edge-sharing MnS4 tetrahedra. All Mn–S bond lengths are 2.41 Å. In the second Mn2+ site, Mn2+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing MnS4 tetrahedra. All Mn–S bond lengths are 2.48 Å. In the third Mn2+ site, Mn2+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing MnS4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.49 Å) Mn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to four equivalent Cs1+ and three Mn2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to four equivalent Cs1+ and three Mn2+ atoms.

Publication Date:
Other Number(s):
mp-1226192
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; Cs2Mn3S4; Cs-Mn-S
OSTI Identifier:
1656408
DOI:
https://doi.org/10.17188/1656408

Citation Formats

The Materials Project. Materials Data on Cs2Mn3S4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656408.
The Materials Project. Materials Data on Cs2Mn3S4 by Materials Project. United States. doi:https://doi.org/10.17188/1656408
The Materials Project. 2020. "Materials Data on Cs2Mn3S4 by Materials Project". United States. doi:https://doi.org/10.17188/1656408. https://www.osti.gov/servlets/purl/1656408. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1656408,
title = {Materials Data on Cs2Mn3S4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Mn3S4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.68–3.77 Å. There are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four S2- atoms to form edge-sharing MnS4 tetrahedra. All Mn–S bond lengths are 2.41 Å. In the second Mn2+ site, Mn2+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing MnS4 tetrahedra. All Mn–S bond lengths are 2.48 Å. In the third Mn2+ site, Mn2+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing MnS4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.49 Å) Mn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to four equivalent Cs1+ and three Mn2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to four equivalent Cs1+ and three Mn2+ atoms.},
doi = {10.17188/1656408},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}