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Title: Materials Data on LaMg by Materials Project

Abstract

MgLa crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight La atoms to form distorted MgLa8 cuboctahedra that share corners with two equivalent MgLa8 cuboctahedra, corners with fourteen LaLa5Mg7 cuboctahedra, edges with six equivalent MgLa8 cuboctahedra, edges with six LaLa5Mg7 cuboctahedra, and faces with four equivalent LaLa5Mg7 cuboctahedra. There are a spread of Mg–La bond distances ranging from 3.45–3.57 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven La atoms. There are a spread of Mg–La bond distances ranging from 3.44–3.60 Å. There are two inequivalent La sites. In the first La site, La is bonded to seven Mg and five La atoms to form distorted LaLa5Mg7 cuboctahedra that share corners with five equivalent MgLa8 cuboctahedra, corners with twelve equivalent LaLa5Mg7 cuboctahedra, an edgeedge with one MgLa8 cuboctahedra, edges with ten LaLa5Mg7 cuboctahedra, faces with two equivalent MgLa8 cuboctahedra, and faces with eight LaLa5Mg7 cuboctahedra. There are a spread of La–La bond distances ranging from 3.39–3.57 Å. In the second La site, La is bonded to eight Mg and four equivalent La atoms to form distortedmore » LaLa4Mg8 cuboctahedra that share corners with four equivalent MgLa8 cuboctahedra, corners with six equivalent LaLa4Mg8 cuboctahedra, edges with four equivalent MgLa8 cuboctahedra, edges with fourteen LaLa5Mg7 cuboctahedra, and faces with eight equivalent LaLa5Mg7 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1094164
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; LaMg; La-Mg
OSTI Identifier:
1726922
DOI:
https://doi.org/10.17188/1726922

Citation Formats

The Materials Project. Materials Data on LaMg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1726922.
The Materials Project. Materials Data on LaMg by Materials Project. United States. doi:https://doi.org/10.17188/1726922
The Materials Project. 2020. "Materials Data on LaMg by Materials Project". United States. doi:https://doi.org/10.17188/1726922. https://www.osti.gov/servlets/purl/1726922. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1726922,
title = {Materials Data on LaMg by Materials Project},
author = {The Materials Project},
abstractNote = {MgLa crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight La atoms to form distorted MgLa8 cuboctahedra that share corners with two equivalent MgLa8 cuboctahedra, corners with fourteen LaLa5Mg7 cuboctahedra, edges with six equivalent MgLa8 cuboctahedra, edges with six LaLa5Mg7 cuboctahedra, and faces with four equivalent LaLa5Mg7 cuboctahedra. There are a spread of Mg–La bond distances ranging from 3.45–3.57 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven La atoms. There are a spread of Mg–La bond distances ranging from 3.44–3.60 Å. There are two inequivalent La sites. In the first La site, La is bonded to seven Mg and five La atoms to form distorted LaLa5Mg7 cuboctahedra that share corners with five equivalent MgLa8 cuboctahedra, corners with twelve equivalent LaLa5Mg7 cuboctahedra, an edgeedge with one MgLa8 cuboctahedra, edges with ten LaLa5Mg7 cuboctahedra, faces with two equivalent MgLa8 cuboctahedra, and faces with eight LaLa5Mg7 cuboctahedra. There are a spread of La–La bond distances ranging from 3.39–3.57 Å. In the second La site, La is bonded to eight Mg and four equivalent La atoms to form distorted LaLa4Mg8 cuboctahedra that share corners with four equivalent MgLa8 cuboctahedra, corners with six equivalent LaLa4Mg8 cuboctahedra, edges with four equivalent MgLa8 cuboctahedra, edges with fourteen LaLa5Mg7 cuboctahedra, and faces with eight equivalent LaLa5Mg7 cuboctahedra.},
doi = {10.17188/1726922},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}