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Title: Materials Data on Ir3Ru by Materials Project

Abstract

RuIr3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ru is bonded to twelve Ir atoms to form RuIr12 cuboctahedra that share corners with four equivalent RuIr12 cuboctahedra, corners with eight equivalent IrIr8Ru4 cuboctahedra, edges with eight equivalent RuIr12 cuboctahedra, edges with sixteen equivalent IrIr8Ru4 cuboctahedra, faces with four equivalent RuIr12 cuboctahedra, and faces with fourteen IrIr8Ru4 cuboctahedra. All Ru–Ir bond lengths are 2.73 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Ru and eight Ir atoms to form IrIr8Ru4 cuboctahedra that share corners with twelve equivalent IrIr8Ru4 cuboctahedra, edges with eight equivalent RuIr12 cuboctahedra, edges with sixteen IrIr8Ru4 cuboctahedra, faces with four equivalent RuIr12 cuboctahedra, and faces with fourteen IrIr8Ru4 cuboctahedra. All Ir–Ir bond lengths are 2.73 Å. In the second Ir site, Ir is bonded to four equivalent Ru and eight equivalent Ir atoms to form IrIr8Ru4 cuboctahedra that share corners with four equivalent IrIr8Ru4 cuboctahedra, corners with eight equivalent RuIr12 cuboctahedra, edges with twenty-four IrIr8Ru4 cuboctahedra, faces with six equivalent RuIr12 cuboctahedra, and faces with twelve IrIr8Ru4 cuboctahedra.

Publication Date:
Other Number(s):
mp-974358
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; Ir3Ru; Ir-Ru
OSTI Identifier:
1314462
DOI:
10.17188/1314462

Citation Formats

The Materials Project. Materials Data on Ir3Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314462.
The Materials Project. Materials Data on Ir3Ru by Materials Project. United States. doi:10.17188/1314462.
The Materials Project. 2020. "Materials Data on Ir3Ru by Materials Project". United States. doi:10.17188/1314462. https://www.osti.gov/servlets/purl/1314462. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1314462,
title = {Materials Data on Ir3Ru by Materials Project},
author = {The Materials Project},
abstractNote = {RuIr3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ru is bonded to twelve Ir atoms to form RuIr12 cuboctahedra that share corners with four equivalent RuIr12 cuboctahedra, corners with eight equivalent IrIr8Ru4 cuboctahedra, edges with eight equivalent RuIr12 cuboctahedra, edges with sixteen equivalent IrIr8Ru4 cuboctahedra, faces with four equivalent RuIr12 cuboctahedra, and faces with fourteen IrIr8Ru4 cuboctahedra. All Ru–Ir bond lengths are 2.73 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Ru and eight Ir atoms to form IrIr8Ru4 cuboctahedra that share corners with twelve equivalent IrIr8Ru4 cuboctahedra, edges with eight equivalent RuIr12 cuboctahedra, edges with sixteen IrIr8Ru4 cuboctahedra, faces with four equivalent RuIr12 cuboctahedra, and faces with fourteen IrIr8Ru4 cuboctahedra. All Ir–Ir bond lengths are 2.73 Å. In the second Ir site, Ir is bonded to four equivalent Ru and eight equivalent Ir atoms to form IrIr8Ru4 cuboctahedra that share corners with four equivalent IrIr8Ru4 cuboctahedra, corners with eight equivalent RuIr12 cuboctahedra, edges with twenty-four IrIr8Ru4 cuboctahedra, faces with six equivalent RuIr12 cuboctahedra, and faces with twelve IrIr8Ru4 cuboctahedra.},
doi = {10.17188/1314462},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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