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Title: Materials Data on MoPdRu2 by Materials Project

Abstract

MoRu2Pd is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo is bonded to six equivalent Mo and six equivalent Ru atoms to form MoMo6Ru6 cuboctahedra that share corners with six equivalent MoMo6Ru6 cuboctahedra, corners with twelve equivalent PdPd6Ru6 cuboctahedra, edges with six equivalent MoMo6Ru6 cuboctahedra, edges with twelve equivalent RuMo3Pd3Ru6 cuboctahedra, faces with two equivalent PdPd6Ru6 cuboctahedra, faces with six equivalent MoMo6Ru6 cuboctahedra, and faces with twelve equivalent RuMo3Pd3Ru6 cuboctahedra. All Mo–Mo bond lengths are 2.77 Å. All Mo–Ru bond lengths are 2.68 Å. Ru is bonded to three equivalent Mo, six equivalent Ru, and three equivalent Pd atoms to form RuMo3Pd3Ru6 cuboctahedra that share corners with eighteen equivalent RuMo3Pd3Ru6 cuboctahedra, edges with six equivalent MoMo6Ru6 cuboctahedra, edges with six equivalent RuMo3Pd3Ru6 cuboctahedra, edges with six equivalent PdPd6Ru6 cuboctahedra, faces with six equivalent MoMo6Ru6 cuboctahedra, faces with six equivalent PdPd6Ru6 cuboctahedra, and faces with eight equivalent RuMo3Pd3Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.77 Å. All Ru–Pd bond lengths are 2.80 Å. Pd is bonded to six equivalent Ru and six equivalent Pd atoms to form PdPd6Ru6 cuboctahedra that share corners with six equivalent PdPd6Ru6 cuboctahedra, corners with twelve equivalent MoMo6Ru6 cuboctahedra,more » edges with six equivalent PdPd6Ru6 cuboctahedra, edges with twelve equivalent RuMo3Pd3Ru6 cuboctahedra, faces with two equivalent MoMo6Ru6 cuboctahedra, faces with six equivalent PdPd6Ru6 cuboctahedra, and faces with twelve equivalent RuMo3Pd3Ru6 cuboctahedra. All Pd–Pd bond lengths are 2.77 Å.« less

Publication Date:
Other Number(s):
mp-1221430
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; MoPdRu2; Mo-Pd-Ru
OSTI Identifier:
1729576
DOI:
https://doi.org/10.17188/1729576

Citation Formats

The Materials Project. Materials Data on MoPdRu2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729576.
The Materials Project. Materials Data on MoPdRu2 by Materials Project. United States. doi:https://doi.org/10.17188/1729576
The Materials Project. 2020. "Materials Data on MoPdRu2 by Materials Project". United States. doi:https://doi.org/10.17188/1729576. https://www.osti.gov/servlets/purl/1729576. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1729576,
title = {Materials Data on MoPdRu2 by Materials Project},
author = {The Materials Project},
abstractNote = {MoRu2Pd is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo is bonded to six equivalent Mo and six equivalent Ru atoms to form MoMo6Ru6 cuboctahedra that share corners with six equivalent MoMo6Ru6 cuboctahedra, corners with twelve equivalent PdPd6Ru6 cuboctahedra, edges with six equivalent MoMo6Ru6 cuboctahedra, edges with twelve equivalent RuMo3Pd3Ru6 cuboctahedra, faces with two equivalent PdPd6Ru6 cuboctahedra, faces with six equivalent MoMo6Ru6 cuboctahedra, and faces with twelve equivalent RuMo3Pd3Ru6 cuboctahedra. All Mo–Mo bond lengths are 2.77 Å. All Mo–Ru bond lengths are 2.68 Å. Ru is bonded to three equivalent Mo, six equivalent Ru, and three equivalent Pd atoms to form RuMo3Pd3Ru6 cuboctahedra that share corners with eighteen equivalent RuMo3Pd3Ru6 cuboctahedra, edges with six equivalent MoMo6Ru6 cuboctahedra, edges with six equivalent RuMo3Pd3Ru6 cuboctahedra, edges with six equivalent PdPd6Ru6 cuboctahedra, faces with six equivalent MoMo6Ru6 cuboctahedra, faces with six equivalent PdPd6Ru6 cuboctahedra, and faces with eight equivalent RuMo3Pd3Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.77 Å. All Ru–Pd bond lengths are 2.80 Å. Pd is bonded to six equivalent Ru and six equivalent Pd atoms to form PdPd6Ru6 cuboctahedra that share corners with six equivalent PdPd6Ru6 cuboctahedra, corners with twelve equivalent MoMo6Ru6 cuboctahedra, edges with six equivalent PdPd6Ru6 cuboctahedra, edges with twelve equivalent RuMo3Pd3Ru6 cuboctahedra, faces with two equivalent MoMo6Ru6 cuboctahedra, faces with six equivalent PdPd6Ru6 cuboctahedra, and faces with twelve equivalent RuMo3Pd3Ru6 cuboctahedra. All Pd–Pd bond lengths are 2.77 Å.},
doi = {10.17188/1729576},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}