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Title: Materials Data on Na3Mg by Materials Project

Abstract

Na3Mg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Mg atoms to form distorted NaNa8Mg4 cuboctahedra that share corners with four equivalent MgNa12 cuboctahedra, corners with fourteen equivalent NaNa8Mg4 cuboctahedra, edges with six equivalent MgNa12 cuboctahedra, edges with twelve equivalent NaNa8Mg4 cuboctahedra, faces with four equivalent MgNa12 cuboctahedra, and faces with sixteen equivalent NaNa8Mg4 cuboctahedra. There are a spread of Na–Na bond distances ranging from 3.52–3.74 Å. There are two shorter (3.51 Å) and two longer (3.63 Å) Na–Mg bond lengths. Mg is bonded to twelve equivalent Na atoms to form MgNa12 cuboctahedra that share corners with six equivalent MgNa12 cuboctahedra, corners with twelve equivalent NaNa8Mg4 cuboctahedra, edges with eighteen equivalent NaNa8Mg4 cuboctahedra, faces with eight equivalent MgNa12 cuboctahedra, and faces with twelve equivalent NaNa8Mg4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1186056
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; Na3Mg; Mg-Na
OSTI Identifier:
1688092
DOI:
https://doi.org/10.17188/1688092

Citation Formats

The Materials Project. Materials Data on Na3Mg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1688092.
The Materials Project. Materials Data on Na3Mg by Materials Project. United States. doi:https://doi.org/10.17188/1688092
The Materials Project. 2020. "Materials Data on Na3Mg by Materials Project". United States. doi:https://doi.org/10.17188/1688092. https://www.osti.gov/servlets/purl/1688092. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1688092,
title = {Materials Data on Na3Mg by Materials Project},
author = {The Materials Project},
abstractNote = {Na3Mg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Mg atoms to form distorted NaNa8Mg4 cuboctahedra that share corners with four equivalent MgNa12 cuboctahedra, corners with fourteen equivalent NaNa8Mg4 cuboctahedra, edges with six equivalent MgNa12 cuboctahedra, edges with twelve equivalent NaNa8Mg4 cuboctahedra, faces with four equivalent MgNa12 cuboctahedra, and faces with sixteen equivalent NaNa8Mg4 cuboctahedra. There are a spread of Na–Na bond distances ranging from 3.52–3.74 Å. There are two shorter (3.51 Å) and two longer (3.63 Å) Na–Mg bond lengths. Mg is bonded to twelve equivalent Na atoms to form MgNa12 cuboctahedra that share corners with six equivalent MgNa12 cuboctahedra, corners with twelve equivalent NaNa8Mg4 cuboctahedra, edges with eighteen equivalent NaNa8Mg4 cuboctahedra, faces with eight equivalent MgNa12 cuboctahedra, and faces with twelve equivalent NaNa8Mg4 cuboctahedra.},
doi = {10.17188/1688092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}