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Title: Materials Data on Sc6Al16Ir7 by Materials Project

Abstract

Sc6Ir7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Ir and eight Al atoms. All Sc–Ir bond lengths are 3.14 Å. There are four shorter (2.93 Å) and four longer (3.01 Å) Sc–Al bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Sc and eight Al atoms to form a mixture of distorted face and corner-sharing IrSc4Al8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.72 Å) Ir–Al bond lengths. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ir–Al bond lengths are 2.57 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to three equivalent Sc and four Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Sc and three equivalent Ir atoms.

Authors:
Publication Date:
Other Number(s):
mp-978662
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; Sc6Al16Ir7; Al-Ir-Sc
OSTI Identifier:
1315978
DOI:
https://doi.org/10.17188/1315978

Citation Formats

The Materials Project. Materials Data on Sc6Al16Ir7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315978.
The Materials Project. Materials Data on Sc6Al16Ir7 by Materials Project. United States. doi:https://doi.org/10.17188/1315978
The Materials Project. 2020. "Materials Data on Sc6Al16Ir7 by Materials Project". United States. doi:https://doi.org/10.17188/1315978. https://www.osti.gov/servlets/purl/1315978. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1315978,
title = {Materials Data on Sc6Al16Ir7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc6Ir7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Ir and eight Al atoms. All Sc–Ir bond lengths are 3.14 Å. There are four shorter (2.93 Å) and four longer (3.01 Å) Sc–Al bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Sc and eight Al atoms to form a mixture of distorted face and corner-sharing IrSc4Al8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.72 Å) Ir–Al bond lengths. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ir–Al bond lengths are 2.57 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to three equivalent Sc and four Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Sc and three equivalent Ir atoms.},
doi = {10.17188/1315978},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}