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Title: Materials Data on Mg13Ir3 by Materials Project

Abstract

Mg13Ir3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a linear geometry to two equivalent Ir atoms. Both Mg–Ir bond lengths are 2.73 Å. In the second Mg site, Mg is bonded in a bent 150 degrees geometry to two equivalent Ir atoms. Both Mg–Ir bond lengths are 2.75 Å. In the third Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Ir atoms. All Mg–Ir bond lengths are 2.77 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.71 Å) and one longer (2.83 Å) Mg–Ir bond lengths. Ir is bonded in a 9-coordinate geometry to nine Mg atoms.

Publication Date:
Other Number(s):
mp-16860
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; Mg13Ir3; Ir-Mg
OSTI Identifier:
1192210
DOI:
https://doi.org/10.17188/1192210

Citation Formats

The Materials Project. Materials Data on Mg13Ir3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192210.
The Materials Project. Materials Data on Mg13Ir3 by Materials Project. United States. doi:https://doi.org/10.17188/1192210
The Materials Project. 2020. "Materials Data on Mg13Ir3 by Materials Project". United States. doi:https://doi.org/10.17188/1192210. https://www.osti.gov/servlets/purl/1192210. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1192210,
title = {Materials Data on Mg13Ir3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg13Ir3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a linear geometry to two equivalent Ir atoms. Both Mg–Ir bond lengths are 2.73 Å. In the second Mg site, Mg is bonded in a bent 150 degrees geometry to two equivalent Ir atoms. Both Mg–Ir bond lengths are 2.75 Å. In the third Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Ir atoms. All Mg–Ir bond lengths are 2.77 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.71 Å) and one longer (2.83 Å) Mg–Ir bond lengths. Ir is bonded in a 9-coordinate geometry to nine Mg atoms.},
doi = {10.17188/1192210},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}