Materials Data on Ga8Cu3W2 by Materials Project

doi:10.17188/1274181

Title: Materials Data on Ga8Cu3W2 by Materials Project

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Abstract

W2Cu3Ga8 crystallizes in the cubic I-43d space group. The structure is three-dimensional. W is bonded in a 11-coordinate geometry to three equivalent Cu and eight Ga atoms. All W–Cu bond lengths are 2.77 Å. There are one shorter (2.58 Å) and seven longer (2.63 Å) W–Ga bond lengths. Cu is bonded in a distorted q6 geometry to two equivalent W and eight Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.58–2.70 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent W, three equivalent Cu, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.74 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent W, three equivalent Cu, and one Ga atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-568017

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; Ga8Cu3W2; Cu-Ga-W

OSTI Identifier:: 1274181

DOI:: https://doi.org/10.17188/1274181

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                    The Materials Project. Materials Data on Ga8Cu3W2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274181.

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                    The Materials Project. Materials Data on Ga8Cu3W2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274181

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                    The Materials Project. 2020.  
"Materials Data on Ga8Cu3W2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274181.  https://www.osti.gov/servlets/purl/1274181. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1274181,

  title        = {Materials Data on Ga8Cu3W2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {W2Cu3Ga8 crystallizes in the cubic I-43d space group. The structure is three-dimensional. W is bonded in a 11-coordinate geometry to three equivalent Cu and eight Ga atoms. All W–Cu bond lengths are 2.77 Å. There are one shorter (2.58 Å) and seven longer (2.63 Å) W–Ga bond lengths. Cu is bonded in a distorted q6 geometry to two equivalent W and eight Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.58–2.70 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent W, three equivalent Cu, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.74 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent W, three equivalent Cu, and one Ga atom.},

  doi          = {10.17188/1274181},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1274181

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