Materials Data on CuW3Br7 by Materials Project

doi:10.17188/1199460

Title: Materials Data on CuW3Br7 by Materials Project

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Abstract

W3CuBr7 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.64–2.66 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Br1- atoms. All Cu–Br bond lengths are 2.40 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms. In the second Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms. In the third Br1- site, Br1- is bonded in a bent 120 degrees geometry to one W2+ and one Cu1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-23370

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; CuW3Br7; Br-Cu-W

OSTI Identifier:: 1199460

DOI:: https://doi.org/10.17188/1199460

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                    The Materials Project. Materials Data on CuW3Br7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199460.

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                    The Materials Project. Materials Data on CuW3Br7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199460

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                    The Materials Project. 2020.  
"Materials Data on CuW3Br7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199460.  https://www.osti.gov/servlets/purl/1199460. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1199460,

  title        = {Materials Data on CuW3Br7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {W3CuBr7 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.64–2.66 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Br1- atoms. All Cu–Br bond lengths are 2.40 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms. In the second Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms. In the third Br1- site, Br1- is bonded in a bent 120 degrees geometry to one W2+ and one Cu1+ atom.},

  doi          = {10.17188/1199460},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1199460

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