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Title: Materials Data on Ce(AlSi)2 by Materials Project

Abstract

Al2CeSi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce is bonded to six equivalent Si atoms to form distorted CeSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent CeSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Ce–Si bond lengths are 3.03 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent CeSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent CeSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–53°. There are three shorter (2.52 Å) and one longer (2.54 Å) Al–Si bond lengths. Si is bonded to three equivalent Ce and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing SiCe3Al4 pentagonal bipyramids.

Publication Date:
Other Number(s):
mp-1207106
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; Ce(AlSi)2; Al-Ce-Si
OSTI Identifier:
1655721
DOI:
https://doi.org/10.17188/1655721

Citation Formats

The Materials Project. Materials Data on Ce(AlSi)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655721.
The Materials Project. Materials Data on Ce(AlSi)2 by Materials Project. United States. doi:https://doi.org/10.17188/1655721
The Materials Project. 2020. "Materials Data on Ce(AlSi)2 by Materials Project". United States. doi:https://doi.org/10.17188/1655721. https://www.osti.gov/servlets/purl/1655721. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1655721,
title = {Materials Data on Ce(AlSi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Al2CeSi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce is bonded to six equivalent Si atoms to form distorted CeSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent CeSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Ce–Si bond lengths are 3.03 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent CeSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent CeSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–53°. There are three shorter (2.52 Å) and one longer (2.54 Å) Al–Si bond lengths. Si is bonded to three equivalent Ce and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing SiCe3Al4 pentagonal bipyramids.},
doi = {10.17188/1655721},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}