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Title: Materials Data on LaMg14Ga by Materials Project

Abstract

Mg14LaGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent La atoms to form distorted MgLa2Mg10 cuboctahedra that share corners with four equivalent GaMg12 cuboctahedra, corners with fourteen MgLa2Mg10 cuboctahedra, edges with two equivalent LaMg12 cuboctahedra, edges with sixteen MgLa2Mg10 cuboctahedra, faces with two equivalent LaMg12 cuboctahedra, and faces with eighteen MgLa2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.41 Å. Both Mg–La bond lengths are 3.27 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with four equivalent LaMg12 cuboctahedra, corners with fourteen MgLa2Mg10 cuboctahedra, edges with two equivalent GaMg12 cuboctahedra, edges with sixteen MgMg10Ga2 cuboctahedra, faces with two equivalent GaMg12 cuboctahedra, and faces with eighteen MgLa2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.12–3.33 Å. Both Mg–Ga bond lengths are 3.27 Å. In the third Mg site, Mg is bonded to ten Mg, one La, and one Ga atom to form distorted MgLaMg10Ga cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edgesmore » with two equivalent LaMg12 cuboctahedra, edges with two equivalent GaMg12 cuboctahedra, edges with fourteen MgLa2Mg10 cuboctahedra, a faceface with one LaMg12 cuboctahedra, a faceface with one GaMg12 cuboctahedra, and faces with eighteen MgLa2Mg10 cuboctahedra. There are two shorter (3.26 Å) and four longer (3.28 Å) Mg–Mg bond lengths. The Mg–La bond length is 3.31 Å. The Mg–Ga bond length is 3.12 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with eighteen MgLa2Mg10 cuboctahedra, faces with three equivalent LaMg12 cuboctahedra, faces with three equivalent GaMg12 cuboctahedra, and faces with fourteen MgLa2Mg10 cuboctahedra. La is bonded to twelve Mg atoms to form LaMg12 cuboctahedra that share corners with six equivalent LaMg12 cuboctahedra, corners with twelve equivalent MgMg10Ga2 cuboctahedra, edges with eighteen MgLa2Mg10 cuboctahedra, faces with two equivalent GaMg12 cuboctahedra, and faces with eighteen MgLa2Mg10 cuboctahedra. Ga is bonded to twelve Mg atoms to form GaMg12 cuboctahedra that share corners with six equivalent GaMg12 cuboctahedra, corners with twelve equivalent MgLa2Mg10 cuboctahedra, edges with eighteen MgMg10Ga2 cuboctahedra, faces with two equivalent LaMg12 cuboctahedra, and faces with eighteen MgMg10Ga2 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1026788
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; LaMg14Ga; Ga-La-Mg
OSTI Identifier:
1672044
DOI:
https://doi.org/10.17188/1672044

Citation Formats

The Materials Project. Materials Data on LaMg14Ga by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1672044.
The Materials Project. Materials Data on LaMg14Ga by Materials Project. United States. doi:https://doi.org/10.17188/1672044
The Materials Project. 2017. "Materials Data on LaMg14Ga by Materials Project". United States. doi:https://doi.org/10.17188/1672044. https://www.osti.gov/servlets/purl/1672044. Pub date:Fri May 12 00:00:00 EDT 2017
@article{osti_1672044,
title = {Materials Data on LaMg14Ga by Materials Project},
author = {The Materials Project},
abstractNote = {Mg14LaGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent La atoms to form distorted MgLa2Mg10 cuboctahedra that share corners with four equivalent GaMg12 cuboctahedra, corners with fourteen MgLa2Mg10 cuboctahedra, edges with two equivalent LaMg12 cuboctahedra, edges with sixteen MgLa2Mg10 cuboctahedra, faces with two equivalent LaMg12 cuboctahedra, and faces with eighteen MgLa2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.41 Å. Both Mg–La bond lengths are 3.27 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with four equivalent LaMg12 cuboctahedra, corners with fourteen MgLa2Mg10 cuboctahedra, edges with two equivalent GaMg12 cuboctahedra, edges with sixteen MgMg10Ga2 cuboctahedra, faces with two equivalent GaMg12 cuboctahedra, and faces with eighteen MgLa2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.12–3.33 Å. Both Mg–Ga bond lengths are 3.27 Å. In the third Mg site, Mg is bonded to ten Mg, one La, and one Ga atom to form distorted MgLaMg10Ga cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with two equivalent LaMg12 cuboctahedra, edges with two equivalent GaMg12 cuboctahedra, edges with fourteen MgLa2Mg10 cuboctahedra, a faceface with one LaMg12 cuboctahedra, a faceface with one GaMg12 cuboctahedra, and faces with eighteen MgLa2Mg10 cuboctahedra. There are two shorter (3.26 Å) and four longer (3.28 Å) Mg–Mg bond lengths. The Mg–La bond length is 3.31 Å. The Mg–Ga bond length is 3.12 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with eighteen MgLa2Mg10 cuboctahedra, faces with three equivalent LaMg12 cuboctahedra, faces with three equivalent GaMg12 cuboctahedra, and faces with fourteen MgLa2Mg10 cuboctahedra. La is bonded to twelve Mg atoms to form LaMg12 cuboctahedra that share corners with six equivalent LaMg12 cuboctahedra, corners with twelve equivalent MgMg10Ga2 cuboctahedra, edges with eighteen MgLa2Mg10 cuboctahedra, faces with two equivalent GaMg12 cuboctahedra, and faces with eighteen MgLa2Mg10 cuboctahedra. Ga is bonded to twelve Mg atoms to form GaMg12 cuboctahedra that share corners with six equivalent GaMg12 cuboctahedra, corners with twelve equivalent MgLa2Mg10 cuboctahedra, edges with eighteen MgMg10Ga2 cuboctahedra, faces with two equivalent LaMg12 cuboctahedra, and faces with eighteen MgMg10Ga2 cuboctahedra.},
doi = {10.17188/1672044},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}