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Title: Materials Data on Ce5Si3 by Materials Project

Abstract

Ce5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Ce–Si bond distances ranging from 3.01–3.11 Å. In the second Ce site, Ce is bonded to six Si atoms to form corner-sharing CeSi6 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. There are four shorter (3.13 Å) and two longer (3.24 Å) Ce–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted q6 geometry to ten Ce atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Ce and one Si atom. The Si–Si bond length is 2.52 Å.

Publication Date:
Other Number(s):
mp-570175
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; Ce5Si3; Ce-Si
OSTI Identifier:
1275562
DOI:
10.17188/1275562

Citation Formats

The Materials Project. Materials Data on Ce5Si3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275562.
The Materials Project. Materials Data on Ce5Si3 by Materials Project. United States. doi:10.17188/1275562.
The Materials Project. 2020. "Materials Data on Ce5Si3 by Materials Project". United States. doi:10.17188/1275562. https://www.osti.gov/servlets/purl/1275562. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1275562,
title = {Materials Data on Ce5Si3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Ce–Si bond distances ranging from 3.01–3.11 Å. In the second Ce site, Ce is bonded to six Si atoms to form corner-sharing CeSi6 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. There are four shorter (3.13 Å) and two longer (3.24 Å) Ce–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted q6 geometry to ten Ce atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Ce and one Si atom. The Si–Si bond length is 2.52 Å.},
doi = {10.17188/1275562},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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