Materials Data on Bi2AuO5 by Materials Project

doi:10.17188/1277944

Title: Materials Data on Bi2AuO5 by Materials Project

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Abstract

AuBi2O5 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Au2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.01 Å. Bi4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.35–2.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Au2+ and three equivalent Bi4+ atoms. In the second O2- site, O2- is bonded to four equivalent Bi4+ atoms to form edge-sharing OBi4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-618309

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; Bi2AuO5; Au-Bi-O

OSTI Identifier:: 1277944

DOI:: https://doi.org/10.17188/1277944

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                    The Materials Project. Materials Data on Bi2AuO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277944.

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                    The Materials Project. Materials Data on Bi2AuO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277944

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                    The Materials Project. 2020.  
"Materials Data on Bi2AuO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277944.  https://www.osti.gov/servlets/purl/1277944. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1277944,

  title        = {Materials Data on Bi2AuO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AuBi2O5 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Au2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.01 Å. Bi4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.35–2.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Au2+ and three equivalent Bi4+ atoms. In the second O2- site, O2- is bonded to four equivalent Bi4+ atoms to form edge-sharing OBi4 tetrahedra.},

  doi          = {10.17188/1277944},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277944

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