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Title: Materials Data on La2Mg17 by Materials Project

Abstract

La2Mg17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three La atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.31 Å. There are a spread of Mg–La bond distances ranging from 3.73–4.01 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to thirteen Mg and one La atom. There are a spread of Mg–Mg bond distances ranging from 3.03–3.46 Å. The Mg–La bond length is 3.57 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent La atoms to form a mixture of distorted face and corner-sharing MgLa2Mg10 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. Both Mg–La bond lengths are 3.93 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two La atoms. There are one shorter (3.03 Å) and one longer (3.19 Å) Mg–Mg bond lengths. There are one shorter (3.60 Å) and one longer (3.67 Å) Mg–La bond lengths. There are two inequivalent La sites. In the first La site, La ismore » bonded in a 8-coordinate geometry to twenty Mg atoms. In the second La site, La is bonded in a 12-coordinate geometry to eighteen Mg atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-30752
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; La2Mg17; La-Mg
OSTI Identifier:
1205112
DOI:
https://doi.org/10.17188/1205112

Citation Formats

The Materials Project. Materials Data on La2Mg17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205112.
The Materials Project. Materials Data on La2Mg17 by Materials Project. United States. doi:https://doi.org/10.17188/1205112
The Materials Project. 2020. "Materials Data on La2Mg17 by Materials Project". United States. doi:https://doi.org/10.17188/1205112. https://www.osti.gov/servlets/purl/1205112. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1205112,
title = {Materials Data on La2Mg17 by Materials Project},
author = {The Materials Project},
abstractNote = {La2Mg17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three La atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.31 Å. There are a spread of Mg–La bond distances ranging from 3.73–4.01 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to thirteen Mg and one La atom. There are a spread of Mg–Mg bond distances ranging from 3.03–3.46 Å. The Mg–La bond length is 3.57 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent La atoms to form a mixture of distorted face and corner-sharing MgLa2Mg10 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. Both Mg–La bond lengths are 3.93 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two La atoms. There are one shorter (3.03 Å) and one longer (3.19 Å) Mg–Mg bond lengths. There are one shorter (3.60 Å) and one longer (3.67 Å) Mg–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to twenty Mg atoms. In the second La site, La is bonded in a 12-coordinate geometry to eighteen Mg atoms.},
doi = {10.17188/1205112},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}