DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Mg2FeB2Ir5 by Materials Project

Abstract

Mg2FeIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to ten Ir and one B atom. There are a spread of Mg–Ir bond distances ranging from 2.77–2.94 Å. The Mg–B bond length is 2.65 Å. Fe is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Fe–Ir bond lengths are 2.58 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Ir–B bond lengths are 2.23 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Mg, two equivalent Fe, and two equivalent B atoms. Both Ir–B bond lengths are 2.17 Å. B is bonded in a 7-coordinate geometry to one Mg and six Ir atoms.

Publication Date:
Other Number(s):
mp-1188243
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; Mg2FeB2Ir5; B-Fe-Ir-Mg
OSTI Identifier:
1727492
DOI:
https://doi.org/10.17188/1727492

Citation Formats

The Materials Project. Materials Data on Mg2FeB2Ir5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727492.
The Materials Project. Materials Data on Mg2FeB2Ir5 by Materials Project. United States. doi:https://doi.org/10.17188/1727492
The Materials Project. 2020. "Materials Data on Mg2FeB2Ir5 by Materials Project". United States. doi:https://doi.org/10.17188/1727492. https://www.osti.gov/servlets/purl/1727492. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1727492,
title = {Materials Data on Mg2FeB2Ir5 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2FeIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to ten Ir and one B atom. There are a spread of Mg–Ir bond distances ranging from 2.77–2.94 Å. The Mg–B bond length is 2.65 Å. Fe is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Fe–Ir bond lengths are 2.58 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Ir–B bond lengths are 2.23 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Mg, two equivalent Fe, and two equivalent B atoms. Both Ir–B bond lengths are 2.17 Å. B is bonded in a 7-coordinate geometry to one Mg and six Ir atoms.},
doi = {10.17188/1727492},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}