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Title: Materials Data on Ru2W3 by Materials Project

Abstract

W3Ru2 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. there are seven inequivalent W sites. In the first W site, W is bonded in a 7-coordinate geometry to nine W and five Ru atoms. There are a spread of W–W bond distances ranging from 2.48–3.19 Å. There are a spread of W–Ru bond distances ranging from 2.76–2.83 Å. In the second W site, W is bonded in a 2-coordinate geometry to seven W and seven Ru atoms. There are a spread of W–W bond distances ranging from 3.01–3.22 Å. There are a spread of W–Ru bond distances ranging from 2.49–2.80 Å. In the third W site, W is bonded in a 7-coordinate geometry to nine W and five Ru atoms. There are a spread of W–W bond distances ranging from 3.03–3.18 Å. There are three shorter (2.77 Å) and two longer (2.83 Å) W–Ru bond lengths. In the fourth W site, W is bonded in a 9-coordinate geometry to eight W and seven Ru atoms. There are two shorter (2.65 Å) and one longer (2.80 Å) W–W bond lengths. There are a spread of W–Ru bond distances ranging from 2.85–3.19 Å. In the fifth W site, Wmore » is bonded in a 11-coordinate geometry to seven W and eight Ru atoms. There are two shorter (2.64 Å) and one longer (2.80 Å) W–W bond lengths. There are a spread of W–Ru bond distances ranging from 2.82–3.12 Å. In the sixth W site, W is bonded in a 7-coordinate geometry to nine W and five Ru atoms. There are a spread of W–W bond distances ranging from 2.61–3.13 Å. There are a spread of W–Ru bond distances ranging from 2.68–2.99 Å. In the seventh W site, W is bonded in a 4-coordinate geometry to nine W and five Ru atoms. The W–W bond length is 2.63 Å. There are a spread of W–Ru bond distances ranging from 2.69–3.02 Å. There are five inequivalent Ru sites. In the first Ru site, Ru is bonded to six W and six Ru atoms to form RuRu6W6 cuboctahedra that share corners with sixteen RuRu3W9 cuboctahedra, edges with two equivalent RuRu6W6 cuboctahedra, and faces with four equivalent RuRu3W9 cuboctahedra. There are four shorter (2.62 Å) and two longer (2.80 Å) Ru–Ru bond lengths. In the second Ru site, Ru is bonded to eight W and four equivalent Ru atoms to form RuRu4W8 cuboctahedra that share corners with sixteen RuRu3W9 cuboctahedra, edges with two equivalent RuRu4W8 cuboctahedra, and faces with four equivalent RuRu3W9 cuboctahedra. All Ru–Ru bond lengths are 2.63 Å. In the third Ru site, Ru is bonded to nine W and three Ru atoms to form distorted RuRu3W9 cuboctahedra that share corners with eleven RuRu6W6 cuboctahedra, edges with three equivalent RuRu3W9 cuboctahedra, and faces with seven RuRu6W6 cuboctahedra. There are one shorter (2.71 Å) and one longer (2.81 Å) Ru–Ru bond lengths. In the fourth Ru site, Ru is bonded to nine W and three Ru atoms to form RuRu3W9 cuboctahedra that share corners with eleven RuRu6W6 cuboctahedra, edges with three equivalent RuRu3W9 cuboctahedra, and faces with seven RuRu4W8 cuboctahedra. There are one shorter (2.66 Å) and one longer (2.76 Å) Ru–Ru bond lengths. In the fifth Ru site, Ru is bonded in a distorted linear geometry to nine W and five Ru atoms.« less

Publication Date:
Other Number(s):
mp-1219644
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; Ru2W3; Ru-W
OSTI Identifier:
1680196
DOI:
https://doi.org/10.17188/1680196

Citation Formats

The Materials Project. Materials Data on Ru2W3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680196.
The Materials Project. Materials Data on Ru2W3 by Materials Project. United States. doi:https://doi.org/10.17188/1680196
The Materials Project. 2019. "Materials Data on Ru2W3 by Materials Project". United States. doi:https://doi.org/10.17188/1680196. https://www.osti.gov/servlets/purl/1680196. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1680196,
title = {Materials Data on Ru2W3 by Materials Project},
author = {The Materials Project},
abstractNote = {W3Ru2 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. there are seven inequivalent W sites. In the first W site, W is bonded in a 7-coordinate geometry to nine W and five Ru atoms. There are a spread of W–W bond distances ranging from 2.48–3.19 Å. There are a spread of W–Ru bond distances ranging from 2.76–2.83 Å. In the second W site, W is bonded in a 2-coordinate geometry to seven W and seven Ru atoms. There are a spread of W–W bond distances ranging from 3.01–3.22 Å. There are a spread of W–Ru bond distances ranging from 2.49–2.80 Å. In the third W site, W is bonded in a 7-coordinate geometry to nine W and five Ru atoms. There are a spread of W–W bond distances ranging from 3.03–3.18 Å. There are three shorter (2.77 Å) and two longer (2.83 Å) W–Ru bond lengths. In the fourth W site, W is bonded in a 9-coordinate geometry to eight W and seven Ru atoms. There are two shorter (2.65 Å) and one longer (2.80 Å) W–W bond lengths. There are a spread of W–Ru bond distances ranging from 2.85–3.19 Å. In the fifth W site, W is bonded in a 11-coordinate geometry to seven W and eight Ru atoms. There are two shorter (2.64 Å) and one longer (2.80 Å) W–W bond lengths. There are a spread of W–Ru bond distances ranging from 2.82–3.12 Å. In the sixth W site, W is bonded in a 7-coordinate geometry to nine W and five Ru atoms. There are a spread of W–W bond distances ranging from 2.61–3.13 Å. There are a spread of W–Ru bond distances ranging from 2.68–2.99 Å. In the seventh W site, W is bonded in a 4-coordinate geometry to nine W and five Ru atoms. The W–W bond length is 2.63 Å. There are a spread of W–Ru bond distances ranging from 2.69–3.02 Å. There are five inequivalent Ru sites. In the first Ru site, Ru is bonded to six W and six Ru atoms to form RuRu6W6 cuboctahedra that share corners with sixteen RuRu3W9 cuboctahedra, edges with two equivalent RuRu6W6 cuboctahedra, and faces with four equivalent RuRu3W9 cuboctahedra. There are four shorter (2.62 Å) and two longer (2.80 Å) Ru–Ru bond lengths. In the second Ru site, Ru is bonded to eight W and four equivalent Ru atoms to form RuRu4W8 cuboctahedra that share corners with sixteen RuRu3W9 cuboctahedra, edges with two equivalent RuRu4W8 cuboctahedra, and faces with four equivalent RuRu3W9 cuboctahedra. All Ru–Ru bond lengths are 2.63 Å. In the third Ru site, Ru is bonded to nine W and three Ru atoms to form distorted RuRu3W9 cuboctahedra that share corners with eleven RuRu6W6 cuboctahedra, edges with three equivalent RuRu3W9 cuboctahedra, and faces with seven RuRu6W6 cuboctahedra. There are one shorter (2.71 Å) and one longer (2.81 Å) Ru–Ru bond lengths. In the fourth Ru site, Ru is bonded to nine W and three Ru atoms to form RuRu3W9 cuboctahedra that share corners with eleven RuRu6W6 cuboctahedra, edges with three equivalent RuRu3W9 cuboctahedra, and faces with seven RuRu4W8 cuboctahedra. There are one shorter (2.66 Å) and one longer (2.76 Å) Ru–Ru bond lengths. In the fifth Ru site, Ru is bonded in a distorted linear geometry to nine W and five Ru atoms.},
doi = {10.17188/1680196},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}