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Title: Materials Data on LaMg by Materials Project

Abstract

MgLa crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to five Mg and five La atoms. There are a spread of Mg–Mg bond distances ranging from 3.26–3.48 Å. There are a spread of Mg–La bond distances ranging from 3.43–3.63 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to four Mg and six La atoms. Both Mg–Mg bond lengths are 3.21 Å. There are a spread of Mg–La bond distances ranging from 3.50–4.09 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to five Mg and five La atoms. There are a spread of Mg–La bond distances ranging from 3.39–3.74 Å. There are three inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to five Mg and seven La atoms. There are a spread of La–La bond distances ranging from 3.46–3.65 Å. In the second La site, La is bonded to five Mg and seven La atoms to form distorted LaLa7Mg5 cuboctahedra that share corners with six equivalent LaLa7Mg5 cuboctahedra, edges with six equivalent LaLa6Mg6more » cuboctahedra, and faces with five LaLa7Mg5 cuboctahedra. There are two shorter (3.58 Å) and two longer (3.65 Å) La–La bond lengths. In the third La site, La is bonded to six Mg and six La atoms to form distorted LaLa6Mg6 cuboctahedra that share corners with six equivalent LaLa6Mg6 cuboctahedra, edges with six equivalent LaLa7Mg5 cuboctahedra, and faces with five LaLa7Mg5 cuboctahedra. Both La–La bond lengths are 3.65 Å.« less

Publication Date:
Other Number(s):
mp-1094166
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:
1745753
DOI:
https://doi.org/10.17188/1745753

Citation Formats

The Materials Project. Materials Data on LaMg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745753.
The Materials Project. Materials Data on LaMg by Materials Project. United States. doi:https://doi.org/10.17188/1745753
The Materials Project. 2020. "Materials Data on LaMg by Materials Project". United States. doi:https://doi.org/10.17188/1745753. https://www.osti.gov/servlets/purl/1745753. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1745753,
title = {Materials Data on LaMg by Materials Project},
author = {The Materials Project},
abstractNote = {MgLa crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to five Mg and five La atoms. There are a spread of Mg–Mg bond distances ranging from 3.26–3.48 Å. There are a spread of Mg–La bond distances ranging from 3.43–3.63 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to four Mg and six La atoms. Both Mg–Mg bond lengths are 3.21 Å. There are a spread of Mg–La bond distances ranging from 3.50–4.09 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to five Mg and five La atoms. There are a spread of Mg–La bond distances ranging from 3.39–3.74 Å. There are three inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to five Mg and seven La atoms. There are a spread of La–La bond distances ranging from 3.46–3.65 Å. In the second La site, La is bonded to five Mg and seven La atoms to form distorted LaLa7Mg5 cuboctahedra that share corners with six equivalent LaLa7Mg5 cuboctahedra, edges with six equivalent LaLa6Mg6 cuboctahedra, and faces with five LaLa7Mg5 cuboctahedra. There are two shorter (3.58 Å) and two longer (3.65 Å) La–La bond lengths. In the third La site, La is bonded to six Mg and six La atoms to form distorted LaLa6Mg6 cuboctahedra that share corners with six equivalent LaLa6Mg6 cuboctahedra, edges with six equivalent LaLa7Mg5 cuboctahedra, and faces with five LaLa7Mg5 cuboctahedra. Both La–La bond lengths are 3.65 Å.},
doi = {10.17188/1745753},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}