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Title: Materials Data on MnAg2Sn3S8 by Materials Project

Abstract

Ag2MnSn3S8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn2+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. All Mn–S bond lengths are 2.26 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.52 Å) and two longer (2.60 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.52 Å) and two longer (2.59 Å) Ag–S bond lengths. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sn–S bond distances ranging from 2.71–3.13 Å. In the second Sn4+ site, Sn4+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.84 Å) and two longer (2.85 Å) Sn–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Mn2+, one Ag1+, one Sn4+, and one S2- atom. The S–S bond length is 2.11more » Å. In the second S2- site, S2- is bonded to one Ag1+ and three Sn4+ atoms to form a mixture of distorted corner and edge-sharing SAgSn3 trigonal pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to one Mn2+, one Ag1+, one Sn4+, and one S2- atom. In the fourth S2- site, S2- is bonded to one Ag1+ and three Sn4+ atoms to form a mixture of distorted corner and edge-sharing SAgSn3 trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-1223011
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; MnAg2Sn3S8; Ag-Mn-S-Sn
OSTI Identifier:
1651568
DOI:
https://doi.org/10.17188/1651568

Citation Formats

The Materials Project. Materials Data on MnAg2Sn3S8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1651568.
The Materials Project. Materials Data on MnAg2Sn3S8 by Materials Project. United States. doi:https://doi.org/10.17188/1651568
The Materials Project. 2019. "Materials Data on MnAg2Sn3S8 by Materials Project". United States. doi:https://doi.org/10.17188/1651568. https://www.osti.gov/servlets/purl/1651568. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1651568,
title = {Materials Data on MnAg2Sn3S8 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2MnSn3S8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn2+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. All Mn–S bond lengths are 2.26 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.52 Å) and two longer (2.60 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.52 Å) and two longer (2.59 Å) Ag–S bond lengths. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sn–S bond distances ranging from 2.71–3.13 Å. In the second Sn4+ site, Sn4+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.84 Å) and two longer (2.85 Å) Sn–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Mn2+, one Ag1+, one Sn4+, and one S2- atom. The S–S bond length is 2.11 Å. In the second S2- site, S2- is bonded to one Ag1+ and three Sn4+ atoms to form a mixture of distorted corner and edge-sharing SAgSn3 trigonal pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to one Mn2+, one Ag1+, one Sn4+, and one S2- atom. In the fourth S2- site, S2- is bonded to one Ag1+ and three Sn4+ atoms to form a mixture of distorted corner and edge-sharing SAgSn3 trigonal pyramids.},
doi = {10.17188/1651568},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}