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Title: Materials Data on La3SiAgS7 by Materials Project

Abstract

La3AgSiS7 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 2.93–3.15 Å. Ag1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Ag–S bond lengths are 2.46 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.12 Å) and three longer (2.15 Å) Si–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent La3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent La3+ and one Ag1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-17719
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; La3SiAgS7; Ag-La-S-Si
OSTI Identifier:
1192656
DOI:
https://doi.org/10.17188/1192656

Citation Formats

The Materials Project. Materials Data on La3SiAgS7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192656.
The Materials Project. Materials Data on La3SiAgS7 by Materials Project. United States. doi:https://doi.org/10.17188/1192656
The Materials Project. 2020. "Materials Data on La3SiAgS7 by Materials Project". United States. doi:https://doi.org/10.17188/1192656. https://www.osti.gov/servlets/purl/1192656. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192656,
title = {Materials Data on La3SiAgS7 by Materials Project},
author = {The Materials Project},
abstractNote = {La3AgSiS7 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 2.93–3.15 Å. Ag1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Ag–S bond lengths are 2.46 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.12 Å) and three longer (2.15 Å) Si–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent La3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent La3+ and one Ag1+ atom.},
doi = {10.17188/1192656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}