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Title: Materials Data on HfMg7 by Materials Project

Abstract

Mg7Hf is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Hf atoms to form MgHf2Mg10 cuboctahedra that share corners with four equivalent HfMg12 cuboctahedra, corners with fourteen equivalent MgHf2Mg10 cuboctahedra, edges with two equivalent HfMg12 cuboctahedra, edges with sixteen MgHf2Mg10 cuboctahedra, faces with two equivalent HfMg12 cuboctahedra, and faces with eighteen MgHf2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.23 Å. Both Mg–Hf bond lengths are 3.20 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Hf atoms to form MgHf2Mg10 cuboctahedra that share corners with eighteen MgHf2Mg10 cuboctahedra, edges with four equivalent HfMg12 cuboctahedra, edges with fourteen MgHf2Mg10 cuboctahedra, faces with two equivalent HfMg12 cuboctahedra, and faces with eighteen MgHf2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.26 Å. Both Mg–Hf bond lengths are 3.12 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Hf atoms to form MgHf2Mg10 cuboctahedra that share corners with eighteen MgHf2Mg10 cuboctahedra, edges with four equivalent HfMg12 cuboctahedra,more » edges with fourteen MgHf2Mg10 cuboctahedra, faces with two equivalent HfMg12 cuboctahedra, and faces with eighteen MgHf2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.26 Å. Both Mg–Hf bond lengths are 3.12 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgHf2Mg10 cuboctahedra, edges with eighteen MgHf2Mg10 cuboctahedra, faces with six equivalent HfMg12 cuboctahedra, and faces with fourteen MgHf2Mg10 cuboctahedra. Hf is bonded to twelve Mg atoms to form HfMg12 cuboctahedra that share corners with six equivalent HfMg12 cuboctahedra, corners with twelve equivalent MgHf2Mg10 cuboctahedra, edges with eighteen MgHf2Mg10 cuboctahedra, faces with two equivalent HfMg12 cuboctahedra, and faces with eighteen MgHf2Mg10 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1016256
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; HfMg7; Hf-Mg
OSTI Identifier:
1656187
DOI:
https://doi.org/10.17188/1656187

Citation Formats

The Materials Project. Materials Data on HfMg7 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1656187.
The Materials Project. Materials Data on HfMg7 by Materials Project. United States. doi:https://doi.org/10.17188/1656187
The Materials Project. 2017. "Materials Data on HfMg7 by Materials Project". United States. doi:https://doi.org/10.17188/1656187. https://www.osti.gov/servlets/purl/1656187. Pub date:Fri Mar 31 00:00:00 EDT 2017
@article{osti_1656187,
title = {Materials Data on HfMg7 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg7Hf is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Hf atoms to form MgHf2Mg10 cuboctahedra that share corners with four equivalent HfMg12 cuboctahedra, corners with fourteen equivalent MgHf2Mg10 cuboctahedra, edges with two equivalent HfMg12 cuboctahedra, edges with sixteen MgHf2Mg10 cuboctahedra, faces with two equivalent HfMg12 cuboctahedra, and faces with eighteen MgHf2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.23 Å. Both Mg–Hf bond lengths are 3.20 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Hf atoms to form MgHf2Mg10 cuboctahedra that share corners with eighteen MgHf2Mg10 cuboctahedra, edges with four equivalent HfMg12 cuboctahedra, edges with fourteen MgHf2Mg10 cuboctahedra, faces with two equivalent HfMg12 cuboctahedra, and faces with eighteen MgHf2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.26 Å. Both Mg–Hf bond lengths are 3.12 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Hf atoms to form MgHf2Mg10 cuboctahedra that share corners with eighteen MgHf2Mg10 cuboctahedra, edges with four equivalent HfMg12 cuboctahedra, edges with fourteen MgHf2Mg10 cuboctahedra, faces with two equivalent HfMg12 cuboctahedra, and faces with eighteen MgHf2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.26 Å. Both Mg–Hf bond lengths are 3.12 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgHf2Mg10 cuboctahedra, edges with eighteen MgHf2Mg10 cuboctahedra, faces with six equivalent HfMg12 cuboctahedra, and faces with fourteen MgHf2Mg10 cuboctahedra. Hf is bonded to twelve Mg atoms to form HfMg12 cuboctahedra that share corners with six equivalent HfMg12 cuboctahedra, corners with twelve equivalent MgHf2Mg10 cuboctahedra, edges with eighteen MgHf2Mg10 cuboctahedra, faces with two equivalent HfMg12 cuboctahedra, and faces with eighteen MgHf2Mg10 cuboctahedra.},
doi = {10.17188/1656187},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {3}
}