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Title: Materials Data on MoW11 by Materials Project

Abstract

W11Mo crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are eight inequivalent W sites. In the first W site, W is bonded to six W atoms to form a mixture of edge and corner-sharing WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. There are two shorter (2.60 Å) and four longer (2.65 Å) W–W bond lengths. In the second W site, W is bonded to six W atoms to form WW6 octahedra that share corners with two equivalent MoMo2W4 octahedra, corners with twelve WW6 octahedra, and edges with eight WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. There are a spread of W–W bond distances ranging from 2.60–2.66 Å. In the third W site, W is bonded to five W and one Mo atom to form distorted WMoW5 octahedra that share corners with two equivalent MoMo2W4 octahedra, corners with twelve WW6 octahedra, edges with two equivalent MoMo2W4 octahedra, and edges with six WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. There are two shorter (2.60 Å) and two longer (2.66 Å) W–W bond lengths. The W–Mo bond length is 2.65 Å. In the fourth W site, W is bonded tomore » five W and one Mo atom to form distorted WMoW5 octahedra that share corners with two equivalent MoMo2W4 octahedra, corners with twelve WW6 octahedra, edges with two equivalent MoMo2W4 octahedra, and edges with six WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. There are a spread of W–W bond distances ranging from 2.60–2.66 Å. The W–Mo bond length is 2.65 Å. In the fifth W site, W is bonded to five W and one Mo atom to form distorted WMoW5 octahedra that share corners with two equivalent MoMo2W4 octahedra, corners with twelve WW6 octahedra, edges with two equivalent MoMo2W4 octahedra, and edges with six WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. Both W–W bond lengths are 2.60 Å. The W–Mo bond length is 2.65 Å. In the sixth W site, W is bonded to six W atoms to form a mixture of edge and corner-sharing WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. There are a spread of W–W bond distances ranging from 2.60–2.66 Å. In the seventh W site, W is bonded to six W atoms to form a mixture of edge and corner-sharing WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. There are a spread of W–W bond distances ranging from 2.60–2.66 Å. In the eighth W site, W is bonded to six W atoms to form a mixture of edge and corner-sharing WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. There are two shorter (2.60 Å) and one longer (2.66 Å) W–W bond lengths. Mo is bonded to four W and two equivalent Mo atoms to form distorted MoMo2W4 octahedra that share corners with two equivalent MoMo2W4 octahedra, corners with twelve WW6 octahedra, and edges with eight WMoW5 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. Both Mo–Mo bond lengths are 2.60 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1103318
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; MoW11; Mo-W
OSTI Identifier:
1731315
DOI:
https://doi.org/10.17188/1731315

Citation Formats

The Materials Project. Materials Data on MoW11 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1731315.
The Materials Project. Materials Data on MoW11 by Materials Project. United States. doi:https://doi.org/10.17188/1731315
The Materials Project. 2018. "Materials Data on MoW11 by Materials Project". United States. doi:https://doi.org/10.17188/1731315. https://www.osti.gov/servlets/purl/1731315. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1731315,
title = {Materials Data on MoW11 by Materials Project},
author = {The Materials Project},
abstractNote = {W11Mo crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are eight inequivalent W sites. In the first W site, W is bonded to six W atoms to form a mixture of edge and corner-sharing WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. There are two shorter (2.60 Å) and four longer (2.65 Å) W–W bond lengths. In the second W site, W is bonded to six W atoms to form WW6 octahedra that share corners with two equivalent MoMo2W4 octahedra, corners with twelve WW6 octahedra, and edges with eight WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. There are a spread of W–W bond distances ranging from 2.60–2.66 Å. In the third W site, W is bonded to five W and one Mo atom to form distorted WMoW5 octahedra that share corners with two equivalent MoMo2W4 octahedra, corners with twelve WW6 octahedra, edges with two equivalent MoMo2W4 octahedra, and edges with six WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. There are two shorter (2.60 Å) and two longer (2.66 Å) W–W bond lengths. The W–Mo bond length is 2.65 Å. In the fourth W site, W is bonded to five W and one Mo atom to form distorted WMoW5 octahedra that share corners with two equivalent MoMo2W4 octahedra, corners with twelve WW6 octahedra, edges with two equivalent MoMo2W4 octahedra, and edges with six WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. There are a spread of W–W bond distances ranging from 2.60–2.66 Å. The W–Mo bond length is 2.65 Å. In the fifth W site, W is bonded to five W and one Mo atom to form distorted WMoW5 octahedra that share corners with two equivalent MoMo2W4 octahedra, corners with twelve WW6 octahedra, edges with two equivalent MoMo2W4 octahedra, and edges with six WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. Both W–W bond lengths are 2.60 Å. The W–Mo bond length is 2.65 Å. In the sixth W site, W is bonded to six W atoms to form a mixture of edge and corner-sharing WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. There are a spread of W–W bond distances ranging from 2.60–2.66 Å. In the seventh W site, W is bonded to six W atoms to form a mixture of edge and corner-sharing WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. There are a spread of W–W bond distances ranging from 2.60–2.66 Å. In the eighth W site, W is bonded to six W atoms to form a mixture of edge and corner-sharing WW6 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. There are two shorter (2.60 Å) and one longer (2.66 Å) W–W bond lengths. Mo is bonded to four W and two equivalent Mo atoms to form distorted MoMo2W4 octahedra that share corners with two equivalent MoMo2W4 octahedra, corners with twelve WW6 octahedra, and edges with eight WMoW5 octahedra. The corner-sharing octahedra tilt angles range from 0–120°. Both Mo–Mo bond lengths are 2.60 Å.},
doi = {10.17188/1731315},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}