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

Abstract

La(AlSi)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. La2+ is bonded to six equivalent Si4- atoms to form LaSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent LaSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All La–Si bond lengths are 3.11 Å. Al3+ is bonded to four equivalent Si4- atoms to form AlSi4 tetrahedra that share corners with six equivalent LaSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent LaSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–52°. There are three shorter (2.53 Å) and one longer (2.54 Å) Al–Si bond lengths. Si4- is bonded to three equivalent La2+ and four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SiLa3Al4 pentagonal bipyramids.

Publication Date:
Other Number(s):
mp-1206998
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; La(AlSi)2; Al-La-Si
OSTI Identifier:
1672202
DOI:
https://doi.org/10.17188/1672202

Citation Formats

The Materials Project. Materials Data on La(AlSi)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672202.
The Materials Project. Materials Data on La(AlSi)2 by Materials Project. United States. doi:https://doi.org/10.17188/1672202
The Materials Project. 2020. "Materials Data on La(AlSi)2 by Materials Project". United States. doi:https://doi.org/10.17188/1672202. https://www.osti.gov/servlets/purl/1672202. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672202,
title = {Materials Data on La(AlSi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {La(AlSi)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. La2+ is bonded to six equivalent Si4- atoms to form LaSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent LaSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All La–Si bond lengths are 3.11 Å. Al3+ is bonded to four equivalent Si4- atoms to form AlSi4 tetrahedra that share corners with six equivalent LaSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent LaSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–52°. There are three shorter (2.53 Å) and one longer (2.54 Å) Al–Si bond lengths. Si4- is bonded to three equivalent La2+ and four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SiLa3Al4 pentagonal bipyramids.},
doi = {10.17188/1672202},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}