skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on MoRu3 by Materials Project

Abstract

MoRu3 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 Ru atoms to form MoRu12 cuboctahedra that share corners with six equivalent MoRu12 cuboctahedra, corners with twelve equivalent RuMo4Ru8 cuboctahedra, edges with eighteen equivalent RuMo4Ru8 cuboctahedra, faces with eight equivalent MoRu12 cuboctahedra, and faces with twelve equivalent RuMo4Ru8 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.76 Å) Mo–Ru bond lengths. Ru is bonded to four equivalent Mo and eight equivalent Ru atoms to form RuMo4Ru8 cuboctahedra that share corners with four equivalent MoRu12 cuboctahedra, corners with fourteen equivalent RuMo4Ru8 cuboctahedra, edges with six equivalent MoRu12 cuboctahedra, edges with twelve equivalent RuMo4Ru8 cuboctahedra, faces with four equivalent MoRu12 cuboctahedra, and faces with sixteen equivalent RuMo4Ru8 cuboctahedra. There are four shorter (2.70 Å) and four longer (2.76 Å) Ru–Ru bond lengths.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-975834
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; MoRu3; Mo-Ru
OSTI Identifier:
1314893
DOI:
10.17188/1314893

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MoRu3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1314893.
Persson, Kristin, & Project, Materials. Materials Data on MoRu3 by Materials Project. United States. doi:10.17188/1314893.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on MoRu3 by Materials Project". United States. doi:10.17188/1314893. https://www.osti.gov/servlets/purl/1314893. Pub date:Fri May 19 00:00:00 EDT 2017
@article{osti_1314893,
title = {Materials Data on MoRu3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MoRu3 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 Ru atoms to form MoRu12 cuboctahedra that share corners with six equivalent MoRu12 cuboctahedra, corners with twelve equivalent RuMo4Ru8 cuboctahedra, edges with eighteen equivalent RuMo4Ru8 cuboctahedra, faces with eight equivalent MoRu12 cuboctahedra, and faces with twelve equivalent RuMo4Ru8 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.76 Å) Mo–Ru bond lengths. Ru is bonded to four equivalent Mo and eight equivalent Ru atoms to form RuMo4Ru8 cuboctahedra that share corners with four equivalent MoRu12 cuboctahedra, corners with fourteen equivalent RuMo4Ru8 cuboctahedra, edges with six equivalent MoRu12 cuboctahedra, edges with twelve equivalent RuMo4Ru8 cuboctahedra, faces with four equivalent MoRu12 cuboctahedra, and faces with sixteen equivalent RuMo4Ru8 cuboctahedra. There are four shorter (2.70 Å) and four longer (2.76 Å) Ru–Ru bond lengths.},
doi = {10.17188/1314893},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

Dataset:

Save / Share: