Materials Data on Au3Br by Materials Project

doi:10.17188/1316585

Title: Materials Data on Au3Br by Materials Project

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Abstract

Au3Br crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Au+0.33+ sites. In the first Au+0.33+ site, Au+0.33+ is bonded in a 4-coordinate geometry to four equivalent Br1- atoms. All Au–Br bond lengths are 3.07 Å. In the second Au+0.33+ site, Au+0.33+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Au–Br bond lengths are 2.97 Å. Br1- is bonded to twelve Au+0.33+ atoms to form a mixture of corner, edge, and face-sharing BrAu12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-984614

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; Au3Br; Au-Br

OSTI Identifier:: 1316585

DOI:: https://doi.org/10.17188/1316585

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                    The Materials Project. Materials Data on Au3Br by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316585.

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                    The Materials Project. Materials Data on Au3Br by Materials Project.  United States.  doi:https://doi.org/10.17188/1316585

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                    The Materials Project. 2020.  
"Materials Data on Au3Br by Materials Project".  United States.  doi:https://doi.org/10.17188/1316585.  https://www.osti.gov/servlets/purl/1316585. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1316585,

  title        = {Materials Data on Au3Br by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Au3Br crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Au+0.33+ sites. In the first Au+0.33+ site, Au+0.33+ is bonded in a 4-coordinate geometry to four equivalent Br1- atoms. All Au–Br bond lengths are 3.07 Å. In the second Au+0.33+ site, Au+0.33+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Au–Br bond lengths are 2.97 Å. Br1- is bonded to twelve Au+0.33+ atoms to form a mixture of corner, edge, and face-sharing BrAu12 cuboctahedra.},

  doi          = {10.17188/1316585},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316585

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