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Title: Materials Data on Rh3W by Materials Project

Abstract

Rh3W crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. W is bonded to six equivalent W and six equivalent Rh atoms to form WRh6W6 cuboctahedra that share corners with six equivalent WRh6W6 cuboctahedra, corners with twelve equivalent RhRh12 cuboctahedra, edges with six equivalent WRh6W6 cuboctahedra, edges with twelve equivalent RhRh9W3 cuboctahedra, faces with six equivalent WRh6W6 cuboctahedra, and faces with fourteen RhRh12 cuboctahedra. All W–W bond lengths are 2.78 Å. All W–Rh bond lengths are 2.69 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to twelve Rh atoms to form RhRh12 cuboctahedra that share corners with six equivalent RhRh12 cuboctahedra, corners with twelve equivalent WRh6W6 cuboctahedra, edges with eighteen RhRh12 cuboctahedra, faces with two equivalent WRh6W6 cuboctahedra, and faces with eighteen RhRh12 cuboctahedra. There are six shorter (2.77 Å) and six longer (2.78 Å) Rh–Rh bond lengths. In the second Rh site, Rh is bonded to three equivalent W and nine Rh atoms to form RhRh9W3 cuboctahedra that share corners with eighteen equivalent RhRh9W3 cuboctahedra, edges with six equivalent WRh6W6 cuboctahedra, edges with twelve RhRh12 cuboctahedra, faces with six equivalent WRh6W6 cuboctahedra, and faces with fourteen RhRh12 cuboctahedra. All Rh–Rhmore » bond lengths are 2.78 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1219506
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; Rh3W; Rh-W
OSTI Identifier:
1705364
DOI:
https://doi.org/10.17188/1705364

Citation Formats

The Materials Project. Materials Data on Rh3W by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705364.
The Materials Project. Materials Data on Rh3W by Materials Project. United States. doi:https://doi.org/10.17188/1705364
The Materials Project. 2020. "Materials Data on Rh3W by Materials Project". United States. doi:https://doi.org/10.17188/1705364. https://www.osti.gov/servlets/purl/1705364. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705364,
title = {Materials Data on Rh3W by Materials Project},
author = {The Materials Project},
abstractNote = {Rh3W crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. W is bonded to six equivalent W and six equivalent Rh atoms to form WRh6W6 cuboctahedra that share corners with six equivalent WRh6W6 cuboctahedra, corners with twelve equivalent RhRh12 cuboctahedra, edges with six equivalent WRh6W6 cuboctahedra, edges with twelve equivalent RhRh9W3 cuboctahedra, faces with six equivalent WRh6W6 cuboctahedra, and faces with fourteen RhRh12 cuboctahedra. All W–W bond lengths are 2.78 Å. All W–Rh bond lengths are 2.69 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to twelve Rh atoms to form RhRh12 cuboctahedra that share corners with six equivalent RhRh12 cuboctahedra, corners with twelve equivalent WRh6W6 cuboctahedra, edges with eighteen RhRh12 cuboctahedra, faces with two equivalent WRh6W6 cuboctahedra, and faces with eighteen RhRh12 cuboctahedra. There are six shorter (2.77 Å) and six longer (2.78 Å) Rh–Rh bond lengths. In the second Rh site, Rh is bonded to three equivalent W and nine Rh atoms to form RhRh9W3 cuboctahedra that share corners with eighteen equivalent RhRh9W3 cuboctahedra, edges with six equivalent WRh6W6 cuboctahedra, edges with twelve RhRh12 cuboctahedra, faces with six equivalent WRh6W6 cuboctahedra, and faces with fourteen RhRh12 cuboctahedra. All Rh–Rh bond lengths are 2.78 Å.},
doi = {10.17188/1705364},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}