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Title: Materials Data on La2SiS5 by Materials Project

Abstract

La2SiS5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.86–3.13 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of La–S bond distances ranging from 2.92–3.40 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.16 Å. There are five 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 to four La3+ atoms to form a mixture of distorted edge and corner-sharing SLa4 trigonal pyramids. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four La3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Si4+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ andmore » one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-558724
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; La2SiS5; La-S-Si
OSTI Identifier:
1270468
DOI:
https://doi.org/10.17188/1270468

Citation Formats

The Materials Project. Materials Data on La2SiS5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270468.
The Materials Project. Materials Data on La2SiS5 by Materials Project. United States. doi:https://doi.org/10.17188/1270468
The Materials Project. 2020. "Materials Data on La2SiS5 by Materials Project". United States. doi:https://doi.org/10.17188/1270468. https://www.osti.gov/servlets/purl/1270468. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1270468,
title = {Materials Data on La2SiS5 by Materials Project},
author = {The Materials Project},
abstractNote = {La2SiS5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.86–3.13 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of La–S bond distances ranging from 2.92–3.40 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.16 Å. There are five 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 to four La3+ atoms to form a mixture of distorted edge and corner-sharing SLa4 trigonal pyramids. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four La3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Si4+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Si4+ atom.},
doi = {10.17188/1270468},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}