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Title: Materials Data on La3Al11 by Materials Project

Abstract

Al11La3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to sixteen Al atoms to form distorted LaAl16 cuboctahedra that share corners with four equivalent AlLa4Al8 cuboctahedra, faces with two equivalent LaAl16 cuboctahedra, and faces with six AlLa4Al8 cuboctahedra. There are a spread of La–Al bond distances ranging from 3.31–3.65 Å. In the second La site, La is bonded in a 12-coordinate geometry to fourteen Al atoms. There are a spread of La–Al bond distances ranging from 3.25–3.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded to four equivalent La and eight Al atoms to form distorted AlLa4Al8 cuboctahedra that share corners with four equivalent LaAl16 cuboctahedra, faces with two equivalent LaAl16 cuboctahedra, and faces with six AlLa4Al8 cuboctahedra. There are four shorter (2.92 Å) and four longer (3.11 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four La and eight Al atoms to form distorted AlLa4Al8 cuboctahedra that share corners with four equivalent AlLa4Al8 cuboctahedra, an edgeedge with one AlLa4Al8 cuboctahedra, faces with two equivalent LaAl16 cuboctahedra, and faces with fivemore » AlLa4Al8 cuboctahedra. There are two shorter (2.67 Å) and four longer (2.87 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 9-coordinate geometry to four La and five Al atoms. There are three shorter (2.67 Å) and one longer (2.76 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 10-coordinate geometry to four La and six Al atoms.« less

Publication Date:
Other Number(s):
mp-16505
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; La3Al11; Al-La
OSTI Identifier:
1191956
DOI:
10.17188/1191956

Citation Formats

The Materials Project. Materials Data on La3Al11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191956.
The Materials Project. Materials Data on La3Al11 by Materials Project. United States. doi:10.17188/1191956.
The Materials Project. 2020. "Materials Data on La3Al11 by Materials Project". United States. doi:10.17188/1191956. https://www.osti.gov/servlets/purl/1191956. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1191956,
title = {Materials Data on La3Al11 by Materials Project},
author = {The Materials Project},
abstractNote = {Al11La3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to sixteen Al atoms to form distorted LaAl16 cuboctahedra that share corners with four equivalent AlLa4Al8 cuboctahedra, faces with two equivalent LaAl16 cuboctahedra, and faces with six AlLa4Al8 cuboctahedra. There are a spread of La–Al bond distances ranging from 3.31–3.65 Å. In the second La site, La is bonded in a 12-coordinate geometry to fourteen Al atoms. There are a spread of La–Al bond distances ranging from 3.25–3.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded to four equivalent La and eight Al atoms to form distorted AlLa4Al8 cuboctahedra that share corners with four equivalent LaAl16 cuboctahedra, faces with two equivalent LaAl16 cuboctahedra, and faces with six AlLa4Al8 cuboctahedra. There are four shorter (2.92 Å) and four longer (3.11 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four La and eight Al atoms to form distorted AlLa4Al8 cuboctahedra that share corners with four equivalent AlLa4Al8 cuboctahedra, an edgeedge with one AlLa4Al8 cuboctahedra, faces with two equivalent LaAl16 cuboctahedra, and faces with five AlLa4Al8 cuboctahedra. There are two shorter (2.67 Å) and four longer (2.87 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 9-coordinate geometry to four La and five Al atoms. There are three shorter (2.67 Å) and one longer (2.76 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 10-coordinate geometry to four La and six Al atoms.},
doi = {10.17188/1191956},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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