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

Abstract

YAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Y is bonded to six equivalent Si atoms to form distorted YSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent YSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Y–Si bond lengths are 2.97 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent YSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent YSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–55°. There are three shorter (2.51 Å) and one longer (2.53 Å) Al–Si bond lengths. Si is bonded to three equivalent Y and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing SiY3Al4 pentagonal bipyramids.

Publication Date:
Other Number(s):
mp-10435
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; Y(AlSi)2; Al-Si-Y
OSTI Identifier:
1187118
DOI:
https://doi.org/10.17188/1187118

Citation Formats

The Materials Project. Materials Data on Y(AlSi)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187118.
The Materials Project. Materials Data on Y(AlSi)2 by Materials Project. United States. doi:https://doi.org/10.17188/1187118
The Materials Project. 2020. "Materials Data on Y(AlSi)2 by Materials Project". United States. doi:https://doi.org/10.17188/1187118. https://www.osti.gov/servlets/purl/1187118. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187118,
title = {Materials Data on Y(AlSi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {YAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Y is bonded to six equivalent Si atoms to form distorted YSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent YSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Y–Si bond lengths are 2.97 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent YSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent YSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–55°. There are three shorter (2.51 Å) and one longer (2.53 Å) Al–Si bond lengths. Si is bonded to three equivalent Y and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing SiY3Al4 pentagonal bipyramids.},
doi = {10.17188/1187118},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}