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Title: Materials Data on Tb4MgIr by Materials Project

Abstract

MgTb4Ir crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Tb atoms to form a mixture of face and corner-sharing MgTb9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. There are a spread of Mg–Tb bond distances ranging from 3.33–3.56 Å. There are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Ir atoms. Both Tb–Ir bond lengths are 2.83 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Ir atoms. Both Tb–Ir bond lengths are 3.53 Å. In the third Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Ir atoms. All Tb–Ir bond lengths are 2.84 Å. Ir is bonded in a 6-coordinate geometry to nine Tb atoms.

Publication Date:
Other Number(s):
mp-567351
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Tb4MgIr; Ir-Mg-Tb
OSTI Identifier:
1273824
DOI:
10.17188/1273824

Citation Formats

The Materials Project. Materials Data on Tb4MgIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273824.
The Materials Project. Materials Data on Tb4MgIr by Materials Project. United States. doi:10.17188/1273824.
The Materials Project. 2020. "Materials Data on Tb4MgIr by Materials Project". United States. doi:10.17188/1273824. https://www.osti.gov/servlets/purl/1273824. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1273824,
title = {Materials Data on Tb4MgIr by Materials Project},
author = {The Materials Project},
abstractNote = {MgTb4Ir crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Tb atoms to form a mixture of face and corner-sharing MgTb9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. There are a spread of Mg–Tb bond distances ranging from 3.33–3.56 Å. There are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Ir atoms. Both Tb–Ir bond lengths are 2.83 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Ir atoms. Both Tb–Ir bond lengths are 3.53 Å. In the third Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Ir atoms. All Tb–Ir bond lengths are 2.84 Å. Ir is bonded in a 6-coordinate geometry to nine Tb atoms.},
doi = {10.17188/1273824},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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