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Title: Materials Data on ThMg3 by Materials Project

Abstract

Mg3Th crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Th atoms to form distorted MgTh4Mg8 cuboctahedra that share corners with four equivalent ThMg12 cuboctahedra, corners with fourteen equivalent MgTh4Mg8 cuboctahedra, edges with six equivalent ThMg12 cuboctahedra, edges with twelve equivalent MgTh4Mg8 cuboctahedra, faces with four equivalent ThMg12 cuboctahedra, and faces with sixteen equivalent MgTh4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.22–3.51 Å. There are two shorter (3.31 Å) and two longer (3.39 Å) Mg–Th bond lengths. Th is bonded to twelve equivalent Mg atoms to form ThMg12 cuboctahedra that share corners with six equivalent ThMg12 cuboctahedra, corners with twelve equivalent MgTh4Mg8 cuboctahedra, edges with eighteen equivalent MgTh4Mg8 cuboctahedra, faces with eight equivalent ThMg12 cuboctahedra, and faces with twelve equivalent MgTh4Mg8 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-979263
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; ThMg3; Mg-Th
OSTI Identifier:
1316103
DOI:
https://doi.org/10.17188/1316103

Citation Formats

The Materials Project. Materials Data on ThMg3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316103.
The Materials Project. Materials Data on ThMg3 by Materials Project. United States. doi:https://doi.org/10.17188/1316103
The Materials Project. 2020. "Materials Data on ThMg3 by Materials Project". United States. doi:https://doi.org/10.17188/1316103. https://www.osti.gov/servlets/purl/1316103. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1316103,
title = {Materials Data on ThMg3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Th crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Th atoms to form distorted MgTh4Mg8 cuboctahedra that share corners with four equivalent ThMg12 cuboctahedra, corners with fourteen equivalent MgTh4Mg8 cuboctahedra, edges with six equivalent ThMg12 cuboctahedra, edges with twelve equivalent MgTh4Mg8 cuboctahedra, faces with four equivalent ThMg12 cuboctahedra, and faces with sixteen equivalent MgTh4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.22–3.51 Å. There are two shorter (3.31 Å) and two longer (3.39 Å) Mg–Th bond lengths. Th is bonded to twelve equivalent Mg atoms to form ThMg12 cuboctahedra that share corners with six equivalent ThMg12 cuboctahedra, corners with twelve equivalent MgTh4Mg8 cuboctahedra, edges with eighteen equivalent MgTh4Mg8 cuboctahedra, faces with eight equivalent ThMg12 cuboctahedra, and faces with twelve equivalent MgTh4Mg8 cuboctahedra.},
doi = {10.17188/1316103},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}