Materials Data on Li5AuO4 by Materials Project

doi:10.17188/1290752

Title: Materials Data on Li5AuO4 by Materials Project

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Abstract

Li5AuO4 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Li5AuO4 sheet oriented in the (1, 1, -2) direction. there are ten inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.54 Å) and one longer (1.56 Å) Li–O bond length. In the second Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.52–2.02 Å. In the third Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.51–2.01 Å. In the fourth Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.48–2.02 Å. In the fifth Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.51–2.01 Å. In the sixth Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.49–2.02more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-757242

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; Li5AuO4; Au-Li-O

OSTI Identifier:: 1290752

DOI:: https://doi.org/10.17188/1290752

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                    The Materials Project. Materials Data on Li5AuO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290752.

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                    The Materials Project. Materials Data on Li5AuO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290752

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                    The Materials Project. 2020.  
"Materials Data on Li5AuO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290752.  https://www.osti.gov/servlets/purl/1290752. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1290752,

  title        = {Materials Data on Li5AuO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li5AuO4 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Li5AuO4 sheet oriented in the (1, 1, -2) direction. there are ten inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.54 Å) and one longer (1.56 Å) Li–O bond length. In the second Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.52–2.02 Å. In the third Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.51–2.01 Å. In the fourth Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.48–2.02 Å. In the fifth Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.51–2.01 Å. In the sixth Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.49–2.02 Å. In the seventh Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.51–2.01 Å. In the eighth Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.54 Å) and one longer (1.56 Å) Li–O bond length. In the ninth Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.49–2.01 Å. In the tenth Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.47–2.03 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a linear geometry to two O2- atoms. Both Au–O bond lengths are 1.54 Å. In the second Au3+ site, Au3+ is bonded in a linear geometry to two O2- atoms. Both Au–O bond lengths are 1.54 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Li1+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Li1+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Li1+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Li1+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one Au3+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one Au3+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Li1+ and one Au3+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one Au3+ atom.},

  doi          = {10.17188/1290752},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1290752

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