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Title: Materials Data on VRu3 by Materials Project

Abstract

VRu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded to twelve equivalent Ru atoms to form VRu12 cuboctahedra that share corners with six equivalent VRu12 cuboctahedra, corners with twelve equivalent RuV4Ru8 cuboctahedra, edges with eighteen equivalent RuV4Ru8 cuboctahedra, faces with eight equivalent VRu12 cuboctahedra, and faces with twelve equivalent RuV4Ru8 cuboctahedra. There are six shorter (2.63 Å) and six longer (2.73 Å) V–Ru bond lengths. Ru is bonded to four equivalent V and eight equivalent Ru atoms to form distorted RuV4Ru8 cuboctahedra that share corners with four equivalent VRu12 cuboctahedra, corners with fourteen equivalent RuV4Ru8 cuboctahedra, edges with six equivalent VRu12 cuboctahedra, edges with twelve equivalent RuV4Ru8 cuboctahedra, faces with four equivalent VRu12 cuboctahedra, and faces with sixteen equivalent RuV4Ru8 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.67–2.79 Å.

Authors:
Publication Date:
Other Number(s):
mp-971788
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; VRu3; Ru-V
OSTI Identifier:
1313630
DOI:
https://doi.org/10.17188/1313630

Citation Formats

The Materials Project. Materials Data on VRu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313630.
The Materials Project. Materials Data on VRu3 by Materials Project. United States. doi:https://doi.org/10.17188/1313630
The Materials Project. 2020. "Materials Data on VRu3 by Materials Project". United States. doi:https://doi.org/10.17188/1313630. https://www.osti.gov/servlets/purl/1313630. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1313630,
title = {Materials Data on VRu3 by Materials Project},
author = {The Materials Project},
abstractNote = {VRu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded to twelve equivalent Ru atoms to form VRu12 cuboctahedra that share corners with six equivalent VRu12 cuboctahedra, corners with twelve equivalent RuV4Ru8 cuboctahedra, edges with eighteen equivalent RuV4Ru8 cuboctahedra, faces with eight equivalent VRu12 cuboctahedra, and faces with twelve equivalent RuV4Ru8 cuboctahedra. There are six shorter (2.63 Å) and six longer (2.73 Å) V–Ru bond lengths. Ru is bonded to four equivalent V and eight equivalent Ru atoms to form distorted RuV4Ru8 cuboctahedra that share corners with four equivalent VRu12 cuboctahedra, corners with fourteen equivalent RuV4Ru8 cuboctahedra, edges with six equivalent VRu12 cuboctahedra, edges with twelve equivalent RuV4Ru8 cuboctahedra, faces with four equivalent VRu12 cuboctahedra, and faces with sixteen equivalent RuV4Ru8 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.67–2.79 Å.},
doi = {10.17188/1313630},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}