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Title: Materials Data on NdMg12 by Materials Project

Abstract

Mg12Nd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted q6 geometry to ten Mg and two equivalent Nd atoms. There are a spread of Mg–Mg bond distances ranging from 2.99–3.31 Å. Both Mg–Nd bond lengths are 3.74 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to nine Mg and one Nd atom. There are one shorter (3.01 Å) and four longer (3.15 Å) Mg–Mg bond lengths. The Mg–Nd bond length is 3.61 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Nd atoms to form a mixture of distorted face, edge, and corner-sharing MgNd2Mg10 cuboctahedra. Both Mg–Mg bond lengths are 3.01 Å. Both Mg–Nd bond lengths are 3.92 Å. Nd is bonded in a 12-coordinate geometry to twenty Mg atoms.

Authors:
Publication Date:
Other Number(s):
mp-30772
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; NdMg12; Mg-Nd
OSTI Identifier:
1205133
DOI:
https://doi.org/10.17188/1205133

Citation Formats

The Materials Project. Materials Data on NdMg12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205133.
The Materials Project. Materials Data on NdMg12 by Materials Project. United States. doi:https://doi.org/10.17188/1205133
The Materials Project. 2020. "Materials Data on NdMg12 by Materials Project". United States. doi:https://doi.org/10.17188/1205133. https://www.osti.gov/servlets/purl/1205133. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205133,
title = {Materials Data on NdMg12 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg12Nd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted q6 geometry to ten Mg and two equivalent Nd atoms. There are a spread of Mg–Mg bond distances ranging from 2.99–3.31 Å. Both Mg–Nd bond lengths are 3.74 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to nine Mg and one Nd atom. There are one shorter (3.01 Å) and four longer (3.15 Å) Mg–Mg bond lengths. The Mg–Nd bond length is 3.61 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Nd atoms to form a mixture of distorted face, edge, and corner-sharing MgNd2Mg10 cuboctahedra. Both Mg–Mg bond lengths are 3.01 Å. Both Mg–Nd bond lengths are 3.92 Å. Nd is bonded in a 12-coordinate geometry to twenty Mg atoms.},
doi = {10.17188/1205133},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}