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Title: Materials Data on Dy4MgIr by Materials Project

Abstract

MgDy4Ir crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Dy atoms to form a mixture of face and corner-sharing MgDy9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.08 Å. There are a spread of Mg–Dy bond distances ranging from 3.32–3.56 Å. There are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Dy, and three equivalent Ir atoms. All Dy–Dy bond lengths are 3.52 Å. All Dy–Ir bond lengths are 2.83 Å. In the second Dy site, Dy is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Dy, and two equivalent Ir atoms. All Dy–Dy bond lengths are 3.65 Å. Both Dy–Ir bond lengths are 2.82 Å. In the third Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Mg, ten Dy, and two equivalent Ir atoms. All Dy–Dy bond lengths are 3.62 Å. Both Dy–Ir bond lengths are 3.52 Å. Ir is bonded in a 6-coordinate geometry to nine Dy atoms.

Authors:
Publication Date:
Other Number(s):
mp-1212923
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; Dy4MgIr; Dy-Ir-Mg
OSTI Identifier:
1738753
DOI:
https://doi.org/10.17188/1738753

Citation Formats

The Materials Project. Materials Data on Dy4MgIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738753.
The Materials Project. Materials Data on Dy4MgIr by Materials Project. United States. doi:https://doi.org/10.17188/1738753
The Materials Project. 2020. "Materials Data on Dy4MgIr by Materials Project". United States. doi:https://doi.org/10.17188/1738753. https://www.osti.gov/servlets/purl/1738753. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1738753,
title = {Materials Data on Dy4MgIr by Materials Project},
author = {The Materials Project},
abstractNote = {MgDy4Ir crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Dy atoms to form a mixture of face and corner-sharing MgDy9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.08 Å. There are a spread of Mg–Dy bond distances ranging from 3.32–3.56 Å. There are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Dy, and three equivalent Ir atoms. All Dy–Dy bond lengths are 3.52 Å. All Dy–Ir bond lengths are 2.83 Å. In the second Dy site, Dy is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Dy, and two equivalent Ir atoms. All Dy–Dy bond lengths are 3.65 Å. Both Dy–Ir bond lengths are 2.82 Å. In the third Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Mg, ten Dy, and two equivalent Ir atoms. All Dy–Dy bond lengths are 3.62 Å. Both Dy–Ir bond lengths are 3.52 Å. Ir is bonded in a 6-coordinate geometry to nine Dy atoms.},
doi = {10.17188/1738753},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}