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Title: Materials Data on La3AgSnS7 by Materials Project

Abstract

La3AgSnS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.94–3.31 Å. Ag1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Ag–S bond lengths are 2.47 Å. Sn4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.38 Å) and three longer (2.43 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent La3+ and one Ag1+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Sn4+ atom. In the third S2- site, S2- is bonded in a tetrahedral geometry to three equivalent La3+ and one Sn4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-542888
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; La3AgSnS7; Ag-La-S-Sn
OSTI Identifier:
1266774
DOI:
10.17188/1266774

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on La3AgSnS7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266774.
Persson, Kristin, & Project, Materials. Materials Data on La3AgSnS7 by Materials Project. United States. doi:10.17188/1266774.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on La3AgSnS7 by Materials Project". United States. doi:10.17188/1266774. https://www.osti.gov/servlets/purl/1266774. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1266774,
title = {Materials Data on La3AgSnS7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {La3AgSnS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.94–3.31 Å. Ag1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Ag–S bond lengths are 2.47 Å. Sn4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.38 Å) and three longer (2.43 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent La3+ and one Ag1+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Sn4+ atom. In the third S2- site, S2- is bonded in a tetrahedral geometry to three equivalent La3+ and one Sn4+ atom.},
doi = {10.17188/1266774},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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