Materials Data on Bi3Au by Materials Project

doi:10.17188/1685942

Title: Materials Data on Bi3Au by Materials Project

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Abstract

AuBi3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Au is bonded in a linear geometry to two equivalent Bi atoms. Both Au–Bi bond lengths are 2.72 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted single-bond geometry to one Au and one Bi atom. The Bi–Bi bond length is 3.14 Å. In the second Bi site, Bi is bonded to six Bi atoms to form a mixture of edge and corner-sharing BiBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Bi bond lengths are 3.30 Å.

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1227355

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; Bi3Au; Au-Bi

OSTI Identifier:: 1685942

DOI:: https://doi.org/10.17188/1685942

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                    The Materials Project. Materials Data on Bi3Au by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1685942.

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                    The Materials Project. Materials Data on Bi3Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1685942

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                    The Materials Project. 2019.  
"Materials Data on Bi3Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1685942.  https://www.osti.gov/servlets/purl/1685942. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1685942,

  title        = {Materials Data on Bi3Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AuBi3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Au is bonded in a linear geometry to two equivalent Bi atoms. Both Au–Bi bond lengths are 2.72 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted single-bond geometry to one Au and one Bi atom. The Bi–Bi bond length is 3.14 Å. In the second Bi site, Bi is bonded to six Bi atoms to form a mixture of edge and corner-sharing BiBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Bi bond lengths are 3.30 Å.},

  doi          = {10.17188/1685942},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1685942

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