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Title: Materials Data on MoRh3 by Materials Project

Abstract

MoRh3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded to twelve equivalent Rh atoms to form MoRh12 cuboctahedra that share corners with six equivalent MoRh12 cuboctahedra, corners with twelve equivalent RhMo4Rh8 cuboctahedra, edges with eighteen equivalent RhMo4Rh8 cuboctahedra, faces with eight equivalent MoRh12 cuboctahedra, and faces with twelve equivalent RhMo4Rh8 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.76 Å) Mo–Rh bond lengths. Rh is bonded to four equivalent Mo and eight equivalent Rh atoms to form RhMo4Rh8 cuboctahedra that share corners with four equivalent MoRh12 cuboctahedra, corners with fourteen equivalent RhMo4Rh8 cuboctahedra, edges with six equivalent MoRh12 cuboctahedra, edges with twelve equivalent RhMo4Rh8 cuboctahedra, faces with four equivalent MoRh12 cuboctahedra, and faces with sixteen equivalent RhMo4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.71–2.77 Å.

Authors:
Publication Date:
Other Number(s):
mp-30787
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; MoRh3; Mo-Rh
OSTI Identifier:
1205148
DOI:
https://doi.org/10.17188/1205148

Citation Formats

The Materials Project. Materials Data on MoRh3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205148.
The Materials Project. Materials Data on MoRh3 by Materials Project. United States. doi:https://doi.org/10.17188/1205148
The Materials Project. 2020. "Materials Data on MoRh3 by Materials Project". United States. doi:https://doi.org/10.17188/1205148. https://www.osti.gov/servlets/purl/1205148. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205148,
title = {Materials Data on MoRh3 by Materials Project},
author = {The Materials Project},
abstractNote = {MoRh3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded to twelve equivalent Rh atoms to form MoRh12 cuboctahedra that share corners with six equivalent MoRh12 cuboctahedra, corners with twelve equivalent RhMo4Rh8 cuboctahedra, edges with eighteen equivalent RhMo4Rh8 cuboctahedra, faces with eight equivalent MoRh12 cuboctahedra, and faces with twelve equivalent RhMo4Rh8 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.76 Å) Mo–Rh bond lengths. Rh is bonded to four equivalent Mo and eight equivalent Rh atoms to form RhMo4Rh8 cuboctahedra that share corners with four equivalent MoRh12 cuboctahedra, corners with fourteen equivalent RhMo4Rh8 cuboctahedra, edges with six equivalent MoRh12 cuboctahedra, edges with twelve equivalent RhMo4Rh8 cuboctahedra, faces with four equivalent MoRh12 cuboctahedra, and faces with sixteen equivalent RhMo4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.71–2.77 Å.},
doi = {10.17188/1205148},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}