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Title: Materials Data on Na3AuO2 by Materials Project

Abstract

Na3AuO2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Na–O bond lengths are 2.26 Å. In the second Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.41 Å. Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.03 Å. O2- is bonded to five Na1+ and one Au1+ atom to form a mixture of corner and edge-sharing ONa5Au octahedra. The corner-sharing octahedra tilt angles range from 3–19°.

Authors:
Publication Date:
Other Number(s):
mp-28365
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; Na3AuO2; Au-Na-O
OSTI Identifier:
1202481
DOI:
https://doi.org/10.17188/1202481

Citation Formats

The Materials Project. Materials Data on Na3AuO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202481.
The Materials Project. Materials Data on Na3AuO2 by Materials Project. United States. doi:https://doi.org/10.17188/1202481
The Materials Project. 2020. "Materials Data on Na3AuO2 by Materials Project". United States. doi:https://doi.org/10.17188/1202481. https://www.osti.gov/servlets/purl/1202481. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1202481,
title = {Materials Data on Na3AuO2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3AuO2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Na–O bond lengths are 2.26 Å. In the second Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.41 Å. Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.03 Å. O2- is bonded to five Na1+ and one Au1+ atom to form a mixture of corner and edge-sharing ONa5Au octahedra. The corner-sharing octahedra tilt angles range from 3–19°.},
doi = {10.17188/1202481},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}