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Title: Materials Data on La2CeSi2S8I by Materials Project

Abstract

CeLa2Si2S8I crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to eight S2- and one I1- atom. There are a spread of Ce–S bond distances ranging from 2.92–3.32 Å. The Ce–I bond length is 3.34 Å. La3+ is bonded in a 9-coordinate geometry to eight S2- and one I1- atom. There are a spread of La–S bond distances ranging from 2.97–3.17 Å. The La–I bond length is 3.50 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 distorted rectangular see-saw-like geometry to three equivalent La3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Ce3+, two equivalent La3+, and one Si4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Ce3+, one La3+, and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to one Ce3+, two equivalent La3+, and one Si4+ atom. I1- is bonded in amore » 3-coordinate geometry to one Ce3+ and two equivalent La3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1223524
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; La2CeSi2S8I; Ce-I-La-S-Si
OSTI Identifier:
1675624
DOI:
https://doi.org/10.17188/1675624

Citation Formats

The Materials Project. Materials Data on La2CeSi2S8I by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1675624.
The Materials Project. Materials Data on La2CeSi2S8I by Materials Project. United States. doi:https://doi.org/10.17188/1675624
The Materials Project. 2020. "Materials Data on La2CeSi2S8I by Materials Project". United States. doi:https://doi.org/10.17188/1675624. https://www.osti.gov/servlets/purl/1675624. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1675624,
title = {Materials Data on La2CeSi2S8I by Materials Project},
author = {The Materials Project},
abstractNote = {CeLa2Si2S8I crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to eight S2- and one I1- atom. There are a spread of Ce–S bond distances ranging from 2.92–3.32 Å. The Ce–I bond length is 3.34 Å. La3+ is bonded in a 9-coordinate geometry to eight S2- and one I1- atom. There are a spread of La–S bond distances ranging from 2.97–3.17 Å. The La–I bond length is 3.50 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 distorted rectangular see-saw-like geometry to three equivalent La3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Ce3+, two equivalent La3+, and one Si4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Ce3+, one La3+, and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to one Ce3+, two equivalent La3+, and one Si4+ atom. I1- is bonded in a 3-coordinate geometry to one Ce3+ and two equivalent La3+ atoms.},
doi = {10.17188/1675624},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}