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Title: Materials Data on Hf3Mg by Materials Project

Abstract

MgHf3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Hf atoms to form MgHf12 cuboctahedra that share corners with six equivalent MgHf12 cuboctahedra, corners with twelve equivalent HfHf8Mg4 cuboctahedra, edges with eighteen equivalent HfHf8Mg4 cuboctahedra, faces with eight equivalent MgHf12 cuboctahedra, and faces with twelve equivalent HfHf8Mg4 cuboctahedra. There are six shorter (3.12 Å) and six longer (3.14 Å) Mg–Hf bond lengths. Hf is bonded to four equivalent Mg and eight equivalent Hf atoms to form HfHf8Mg4 cuboctahedra that share corners with four equivalent MgHf12 cuboctahedra, corners with fourteen equivalent HfHf8Mg4 cuboctahedra, edges with six equivalent MgHf12 cuboctahedra, edges with twelve equivalent HfHf8Mg4 cuboctahedra, faces with four equivalent MgHf12 cuboctahedra, and faces with sixteen equivalent HfHf8Mg4 cuboctahedra. There are a spread of Hf–Hf bond distances ranging from 3.12–3.16 Å.

Authors:
Publication Date:
Other Number(s):
mp-1094259
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; Hf3Mg; Hf-Mg
OSTI Identifier:
1685103
DOI:
https://doi.org/10.17188/1685103

Citation Formats

The Materials Project. Materials Data on Hf3Mg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685103.
The Materials Project. Materials Data on Hf3Mg by Materials Project. United States. doi:https://doi.org/10.17188/1685103
The Materials Project. 2020. "Materials Data on Hf3Mg by Materials Project". United States. doi:https://doi.org/10.17188/1685103. https://www.osti.gov/servlets/purl/1685103. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685103,
title = {Materials Data on Hf3Mg by Materials Project},
author = {The Materials Project},
abstractNote = {MgHf3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Hf atoms to form MgHf12 cuboctahedra that share corners with six equivalent MgHf12 cuboctahedra, corners with twelve equivalent HfHf8Mg4 cuboctahedra, edges with eighteen equivalent HfHf8Mg4 cuboctahedra, faces with eight equivalent MgHf12 cuboctahedra, and faces with twelve equivalent HfHf8Mg4 cuboctahedra. There are six shorter (3.12 Å) and six longer (3.14 Å) Mg–Hf bond lengths. Hf is bonded to four equivalent Mg and eight equivalent Hf atoms to form HfHf8Mg4 cuboctahedra that share corners with four equivalent MgHf12 cuboctahedra, corners with fourteen equivalent HfHf8Mg4 cuboctahedra, edges with six equivalent MgHf12 cuboctahedra, edges with twelve equivalent HfHf8Mg4 cuboctahedra, faces with four equivalent MgHf12 cuboctahedra, and faces with sixteen equivalent HfHf8Mg4 cuboctahedra. There are a spread of Hf–Hf bond distances ranging from 3.12–3.16 Å.},
doi = {10.17188/1685103},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}