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Title: Materials Data on Zr6Ga16Ir7 by Materials Project

Abstract

Zr6Ir7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Ir and eight Ga atoms. All Zr–Ir bond lengths are 3.19 Å. There are four shorter (2.79 Å) and four longer (3.13 Å) Zr–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Zr and eight Ga atoms to form a mixture of distorted face and corner-sharing IrZr4Ga8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.72 Å) Ir–Ga bond lengths. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ir–Ga bond lengths are 2.63 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Zr and three equivalent Ir atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Zr and four Ir atoms.

Authors:
Publication Date:
Other Number(s):
mp-1194195
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; Zr6Ga16Ir7; Ga-Ir-Zr
OSTI Identifier:
1682211
DOI:
https://doi.org/10.17188/1682211

Citation Formats

The Materials Project. Materials Data on Zr6Ga16Ir7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682211.
The Materials Project. Materials Data on Zr6Ga16Ir7 by Materials Project. United States. doi:https://doi.org/10.17188/1682211
The Materials Project. 2020. "Materials Data on Zr6Ga16Ir7 by Materials Project". United States. doi:https://doi.org/10.17188/1682211. https://www.osti.gov/servlets/purl/1682211. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1682211,
title = {Materials Data on Zr6Ga16Ir7 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr6Ir7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Ir and eight Ga atoms. All Zr–Ir bond lengths are 3.19 Å. There are four shorter (2.79 Å) and four longer (3.13 Å) Zr–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Zr and eight Ga atoms to form a mixture of distorted face and corner-sharing IrZr4Ga8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.72 Å) Ir–Ga bond lengths. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ir–Ga bond lengths are 2.63 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Zr and three equivalent Ir atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Zr and four Ir atoms.},
doi = {10.17188/1682211},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}