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Title: Materials Data on MoIr3 by Materials Project

Abstract

Ir3Mo is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded to twelve equivalent Ir atoms to form MoIr12 cuboctahedra that share corners with six equivalent MoIr12 cuboctahedra, corners with twelve equivalent IrMo4Ir8 cuboctahedra, edges with eighteen equivalent IrMo4Ir8 cuboctahedra, faces with eight equivalent MoIr12 cuboctahedra, and faces with twelve equivalent IrMo4Ir8 cuboctahedra. There are six shorter (2.73 Å) and six longer (2.77 Å) Mo–Ir bond lengths. Ir is bonded to four equivalent Mo and eight equivalent Ir atoms to form IrMo4Ir8 cuboctahedra that share corners with four equivalent MoIr12 cuboctahedra, corners with fourteen equivalent IrMo4Ir8 cuboctahedra, edges with six equivalent MoIr12 cuboctahedra, edges with twelve equivalent IrMo4Ir8 cuboctahedra, faces with four equivalent MoIr12 cuboctahedra, and faces with sixteen equivalent IrMo4Ir8 cuboctahedra. There are a spread of Ir–Ir bond distances ranging from 2.73–2.78 Å.

Publication Date:
Other Number(s):
mp-11482
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; MoIr3; Ir-Mo
OSTI Identifier:
1187875
DOI:
https://doi.org/10.17188/1187875

Citation Formats

The Materials Project. Materials Data on MoIr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187875.
The Materials Project. Materials Data on MoIr3 by Materials Project. United States. doi:https://doi.org/10.17188/1187875
The Materials Project. 2020. "Materials Data on MoIr3 by Materials Project". United States. doi:https://doi.org/10.17188/1187875. https://www.osti.gov/servlets/purl/1187875. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187875,
title = {Materials Data on MoIr3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ir3Mo is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded to twelve equivalent Ir atoms to form MoIr12 cuboctahedra that share corners with six equivalent MoIr12 cuboctahedra, corners with twelve equivalent IrMo4Ir8 cuboctahedra, edges with eighteen equivalent IrMo4Ir8 cuboctahedra, faces with eight equivalent MoIr12 cuboctahedra, and faces with twelve equivalent IrMo4Ir8 cuboctahedra. There are six shorter (2.73 Å) and six longer (2.77 Å) Mo–Ir bond lengths. Ir is bonded to four equivalent Mo and eight equivalent Ir atoms to form IrMo4Ir8 cuboctahedra that share corners with four equivalent MoIr12 cuboctahedra, corners with fourteen equivalent IrMo4Ir8 cuboctahedra, edges with six equivalent MoIr12 cuboctahedra, edges with twelve equivalent IrMo4Ir8 cuboctahedra, faces with four equivalent MoIr12 cuboctahedra, and faces with sixteen equivalent IrMo4Ir8 cuboctahedra. There are a spread of Ir–Ir bond distances ranging from 2.73–2.78 Å.},
doi = {10.17188/1187875},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}