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Title: Materials Data on IrRh by Materials Project

Abstract

IrRh is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ir and six equivalent Rh atoms to form IrIr6Rh6 cuboctahedra that share corners with twelve IrIr6Rh6 cuboctahedra, edges with twelve IrIr6Rh6 cuboctahedra, edges with twelve equivalent RhIr6Rh6 cuboctahedra, faces with six equivalent IrIr6Rh6 cuboctahedra, and faces with twelve equivalent RhIr6Rh6 cuboctahedra. All Ir–Ir bond lengths are 2.73 Å. All Ir–Rh bond lengths are 2.73 Å. In the second Ir site, Ir is bonded to six equivalent Ir and six Rh atoms to form IrIr6Rh6 cuboctahedra that share corners with five equivalent RhIr6Rh10 cuboctahedra, corners with twelve IrIr6Rh6 cuboctahedra, edges with ten RhIr6Rh6 cuboctahedra, edges with twelve IrIr6Rh6 cuboctahedra, faces with six equivalent IrIr6Rh6 cuboctahedra, and faces with fifteen RhIr6Rh6 cuboctahedra. All Ir–Ir bond lengths are 2.73 Å. All Ir–Rh bond lengths are 2.73 Å. In the third Ir site, Ir is bonded to six equivalent Ir and six Rh atoms to form IrIr6Rh6 cuboctahedra that share corners with five equivalent RhIr6Rh10 cuboctahedra, corners with twelve IrIr6Rh6 cuboctahedra, edges with ten RhIr6Rh6 cuboctahedra, edges with twelve IrIr6Rh6more » cuboctahedra, faces with six equivalent IrIr6Rh6 cuboctahedra, and faces with fifteen RhIr6Rh6 cuboctahedra. All Ir–Ir bond lengths are 2.73 Å. All Ir–Rh bond lengths are 2.73 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six Ir and six equivalent Rh atoms to form RhIr6Rh6 cuboctahedra that share corners with twelve RhIr6Rh6 cuboctahedra, edges with twelve IrIr6Rh6 cuboctahedra, edges with twelve RhIr6Rh6 cuboctahedra, faces with six equivalent RhIr6Rh6 cuboctahedra, and faces with twelve IrIr6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.73 Å. In the second Rh site, Rh is bonded to six Ir and ten equivalent Rh atoms to form RhIr6Rh10 cuboctahedra that share corners with ten IrIr6Rh6 cuboctahedra, corners with twelve RhIr6Rh6 cuboctahedra, edges with eight IrIr6Rh6 cuboctahedra, edges with sixteen RhIr6Rh6 cuboctahedra, faces with sixteen equivalent RhIr6Rh10 cuboctahedra, and faces with eighteen IrIr6Rh6 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.73–5.46 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1223919
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; IrRh; Ir-Rh
OSTI Identifier:
1758518
DOI:
https://doi.org/10.17188/1758518

Citation Formats

The Materials Project. Materials Data on IrRh by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758518.
The Materials Project. Materials Data on IrRh by Materials Project. United States. doi:https://doi.org/10.17188/1758518
The Materials Project. 2020. "Materials Data on IrRh by Materials Project". United States. doi:https://doi.org/10.17188/1758518. https://www.osti.gov/servlets/purl/1758518. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758518,
title = {Materials Data on IrRh by Materials Project},
author = {The Materials Project},
abstractNote = {IrRh is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ir and six equivalent Rh atoms to form IrIr6Rh6 cuboctahedra that share corners with twelve IrIr6Rh6 cuboctahedra, edges with twelve IrIr6Rh6 cuboctahedra, edges with twelve equivalent RhIr6Rh6 cuboctahedra, faces with six equivalent IrIr6Rh6 cuboctahedra, and faces with twelve equivalent RhIr6Rh6 cuboctahedra. All Ir–Ir bond lengths are 2.73 Å. All Ir–Rh bond lengths are 2.73 Å. In the second Ir site, Ir is bonded to six equivalent Ir and six Rh atoms to form IrIr6Rh6 cuboctahedra that share corners with five equivalent RhIr6Rh10 cuboctahedra, corners with twelve IrIr6Rh6 cuboctahedra, edges with ten RhIr6Rh6 cuboctahedra, edges with twelve IrIr6Rh6 cuboctahedra, faces with six equivalent IrIr6Rh6 cuboctahedra, and faces with fifteen RhIr6Rh6 cuboctahedra. All Ir–Ir bond lengths are 2.73 Å. All Ir–Rh bond lengths are 2.73 Å. In the third Ir site, Ir is bonded to six equivalent Ir and six Rh atoms to form IrIr6Rh6 cuboctahedra that share corners with five equivalent RhIr6Rh10 cuboctahedra, corners with twelve IrIr6Rh6 cuboctahedra, edges with ten RhIr6Rh6 cuboctahedra, edges with twelve IrIr6Rh6 cuboctahedra, faces with six equivalent IrIr6Rh6 cuboctahedra, and faces with fifteen RhIr6Rh6 cuboctahedra. All Ir–Ir bond lengths are 2.73 Å. All Ir–Rh bond lengths are 2.73 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six Ir and six equivalent Rh atoms to form RhIr6Rh6 cuboctahedra that share corners with twelve RhIr6Rh6 cuboctahedra, edges with twelve IrIr6Rh6 cuboctahedra, edges with twelve RhIr6Rh6 cuboctahedra, faces with six equivalent RhIr6Rh6 cuboctahedra, and faces with twelve IrIr6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.73 Å. In the second Rh site, Rh is bonded to six Ir and ten equivalent Rh atoms to form RhIr6Rh10 cuboctahedra that share corners with ten IrIr6Rh6 cuboctahedra, corners with twelve RhIr6Rh6 cuboctahedra, edges with eight IrIr6Rh6 cuboctahedra, edges with sixteen RhIr6Rh6 cuboctahedra, faces with sixteen equivalent RhIr6Rh10 cuboctahedra, and faces with eighteen IrIr6Rh6 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.73–5.46 Å.},
doi = {10.17188/1758518},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}