Materials Data on Re2W3C by Materials Project

doi:10.17188/1192218

Title: Materials Data on Re2W3C by Materials Project

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Abstract

W3Re2C crystallizes in the cubic P4_132 space group. The structure is three-dimensional. W is bonded in a 2-coordinate geometry to six equivalent Re and two equivalent C atoms. There are a spread of W–Re bond distances ranging from 2.86–2.97 Å. Both W–C bond lengths are 2.17 Å. Re is bonded to nine equivalent W and three equivalent Re atoms to form ReRe3W9 cuboctahedra that share corners with fifteen equivalent ReRe3W9 cuboctahedra, edges with three equivalent CW6 octahedra, faces with ten equivalent ReRe3W9 cuboctahedra, and faces with four equivalent CW6 octahedra. All Re–Re bond lengths are 2.58 Å. C is bonded to six equivalent W atoms to form distorted CW6 octahedra that share corners with six equivalent CW6 octahedra, edges with six equivalent ReRe3W9 cuboctahedra, and faces with eight equivalent ReRe3W9 cuboctahedra. The corner-sharing octahedral tilt angles are 23°.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-16877

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; Re2W3C; C-Re-W

OSTI Identifier:: 1192218

DOI:: https://doi.org/10.17188/1192218

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                    The Materials Project. Materials Data on Re2W3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192218.

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                    The Materials Project. Materials Data on Re2W3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1192218

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                    The Materials Project. 2020.  
"Materials Data on Re2W3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1192218.  https://www.osti.gov/servlets/purl/1192218. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1192218,

  title        = {Materials Data on Re2W3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {W3Re2C crystallizes in the cubic P4_132 space group. The structure is three-dimensional. W is bonded in a 2-coordinate geometry to six equivalent Re and two equivalent C atoms. There are a spread of W–Re bond distances ranging from 2.86–2.97 Å. Both W–C bond lengths are 2.17 Å. Re is bonded to nine equivalent W and three equivalent Re atoms to form ReRe3W9 cuboctahedra that share corners with fifteen equivalent ReRe3W9 cuboctahedra, edges with three equivalent CW6 octahedra, faces with ten equivalent ReRe3W9 cuboctahedra, and faces with four equivalent CW6 octahedra. All Re–Re bond lengths are 2.58 Å. C is bonded to six equivalent W atoms to form distorted CW6 octahedra that share corners with six equivalent CW6 octahedra, edges with six equivalent ReRe3W9 cuboctahedra, and faces with eight equivalent ReRe3W9 cuboctahedra. The corner-sharing octahedral tilt angles are 23°.},

  doi          = {10.17188/1192218},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192218

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