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Title: Materials Data on MgZr by Materials Project

Abstract

ZrMg is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Zr atoms to form MgMg4Zr8 cuboctahedra that share corners with eight equivalent ZrMg8Zr4 cuboctahedra, corners with ten equivalent MgMg4Zr8 cuboctahedra, edges with six equivalent MgMg4Zr8 cuboctahedra, edges with twelve equivalent ZrMg8Zr4 cuboctahedra, faces with eight equivalent ZrMg8Zr4 cuboctahedra, and faces with twelve equivalent MgMg4Zr8 cuboctahedra. There are two shorter (3.24 Å) and two longer (3.27 Å) Mg–Mg bond lengths. There are six shorter (3.10 Å) and two longer (3.14 Å) Mg–Zr bond lengths. Zr is bonded to eight equivalent Mg and four equivalent Zr atoms to form ZrMg8Zr4 cuboctahedra that share corners with eight equivalent MgMg4Zr8 cuboctahedra, corners with ten equivalent ZrMg8Zr4 cuboctahedra, edges with six equivalent ZrMg8Zr4 cuboctahedra, edges with twelve equivalent MgMg4Zr8 cuboctahedra, faces with eight equivalent MgMg4Zr8 cuboctahedra, and faces with twelve equivalent ZrMg8Zr4 cuboctahedra. There are two shorter (3.27 Å) and two longer (3.28 Å) Zr–Zr bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1094770
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; MgZr; Mg-Zr
OSTI Identifier:
1758089
DOI:
https://doi.org/10.17188/1758089

Citation Formats

The Materials Project. Materials Data on MgZr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758089.
The Materials Project. Materials Data on MgZr by Materials Project. United States. doi:https://doi.org/10.17188/1758089
The Materials Project. 2020. "Materials Data on MgZr by Materials Project". United States. doi:https://doi.org/10.17188/1758089. https://www.osti.gov/servlets/purl/1758089. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758089,
title = {Materials Data on MgZr by Materials Project},
author = {The Materials Project},
abstractNote = {ZrMg is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Zr atoms to form MgMg4Zr8 cuboctahedra that share corners with eight equivalent ZrMg8Zr4 cuboctahedra, corners with ten equivalent MgMg4Zr8 cuboctahedra, edges with six equivalent MgMg4Zr8 cuboctahedra, edges with twelve equivalent ZrMg8Zr4 cuboctahedra, faces with eight equivalent ZrMg8Zr4 cuboctahedra, and faces with twelve equivalent MgMg4Zr8 cuboctahedra. There are two shorter (3.24 Å) and two longer (3.27 Å) Mg–Mg bond lengths. There are six shorter (3.10 Å) and two longer (3.14 Å) Mg–Zr bond lengths. Zr is bonded to eight equivalent Mg and four equivalent Zr atoms to form ZrMg8Zr4 cuboctahedra that share corners with eight equivalent MgMg4Zr8 cuboctahedra, corners with ten equivalent ZrMg8Zr4 cuboctahedra, edges with six equivalent ZrMg8Zr4 cuboctahedra, edges with twelve equivalent MgMg4Zr8 cuboctahedra, faces with eight equivalent MgMg4Zr8 cuboctahedra, and faces with twelve equivalent ZrMg8Zr4 cuboctahedra. There are two shorter (3.27 Å) and two longer (3.28 Å) Zr–Zr bond lengths.},
doi = {10.17188/1758089},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}