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Title: Materials Data on Li5AuO4 by Materials Project

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 » 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.« less

Authors:
Publication Date:
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

Citation Formats

The Materials Project. Materials Data on Li5AuO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290752.
The Materials Project. Materials Data on Li5AuO4 by Materials Project. United States. doi:https://doi.org/10.17188/1290752
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
@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 = {2020},
month = {5}
}