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Title: Materials Data on La3Si2S8Cl by Materials Project

Abstract

La3Si2S8Cl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to eight S2- and one Cl1- atom. There are a spread of La–S bond distances ranging from 2.94–3.16 Å. The La–Cl bond length is 3.35 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to eight S2- and one Cl1- atom. There are a spread of La–S bond distances ranging from 2.92–3.39 Å. The La–Cl bond length is 2.96 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.14 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Si4+ atom.more » Cl1- is bonded in a 1-coordinate geometry to three La3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-556246
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; La3Si2S8Cl; Cl-La-S-Si
OSTI Identifier:
1269251
DOI:
https://doi.org/10.17188/1269251

Citation Formats

The Materials Project. Materials Data on La3Si2S8Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269251.
The Materials Project. Materials Data on La3Si2S8Cl by Materials Project. United States. doi:https://doi.org/10.17188/1269251
The Materials Project. 2020. "Materials Data on La3Si2S8Cl by Materials Project". United States. doi:https://doi.org/10.17188/1269251. https://www.osti.gov/servlets/purl/1269251. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1269251,
title = {Materials Data on La3Si2S8Cl by Materials Project},
author = {The Materials Project},
abstractNote = {La3Si2S8Cl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to eight S2- and one Cl1- atom. There are a spread of La–S bond distances ranging from 2.94–3.16 Å. The La–Cl bond length is 3.35 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to eight S2- and one Cl1- atom. There are a spread of La–S bond distances ranging from 2.92–3.39 Å. The La–Cl bond length is 2.96 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.14 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Si4+ atom. Cl1- is bonded in a 1-coordinate geometry to three La3+ atoms.},
doi = {10.17188/1269251},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}