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Title: Materials Data on Mg3Si8Ir3 by Materials Project

Abstract

Mg3Ir3Si8 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 9-coordinate geometry to nine Si2- atoms. There are three shorter (3.04 Å) and six longer (3.06 Å) Mg–Si bond lengths. In the second Mg2+ site, Mg2+ is bonded in a distorted cuboctahedral geometry to twelve equivalent Si2- atoms. All Mg–Si bond lengths are 3.15 Å. In the third Mg2+ site, Mg2+ is bonded in a 12-coordinate geometry to twelve equivalent Si2- atoms. All Mg–Si bond lengths are 2.97 Å. Ir+3.33+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are four shorter (2.42 Å) and two longer (2.46 Å) Ir–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 9-coordinate geometry to four Mg2+, two equivalent Ir+3.33+, and three equivalent Si2- atoms. There are one shorter (2.42 Å) and two longer (2.62 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a distorted trigonal planar geometry to three equivalent Mg2+ and three equivalent Ir+3.33+ atoms.

Publication Date:
Other Number(s):
mp-569313
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; Mg3Si8Ir3; Ir-Mg-Si
OSTI Identifier:
1275032
DOI:
10.17188/1275032

Citation Formats

The Materials Project. Materials Data on Mg3Si8Ir3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275032.
The Materials Project. Materials Data on Mg3Si8Ir3 by Materials Project. United States. doi:10.17188/1275032.
The Materials Project. 2020. "Materials Data on Mg3Si8Ir3 by Materials Project". United States. doi:10.17188/1275032. https://www.osti.gov/servlets/purl/1275032. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1275032,
title = {Materials Data on Mg3Si8Ir3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Ir3Si8 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 9-coordinate geometry to nine Si2- atoms. There are three shorter (3.04 Å) and six longer (3.06 Å) Mg–Si bond lengths. In the second Mg2+ site, Mg2+ is bonded in a distorted cuboctahedral geometry to twelve equivalent Si2- atoms. All Mg–Si bond lengths are 3.15 Å. In the third Mg2+ site, Mg2+ is bonded in a 12-coordinate geometry to twelve equivalent Si2- atoms. All Mg–Si bond lengths are 2.97 Å. Ir+3.33+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are four shorter (2.42 Å) and two longer (2.46 Å) Ir–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 9-coordinate geometry to four Mg2+, two equivalent Ir+3.33+, and three equivalent Si2- atoms. There are one shorter (2.42 Å) and two longer (2.62 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a distorted trigonal planar geometry to three equivalent Mg2+ and three equivalent Ir+3.33+ atoms.},
doi = {10.17188/1275032},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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