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Title: Materials Data on MgAuO2 by Materials Project

Abstract

MgAuO2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form a mixture of face, edge, and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two shorter (2.07 Å) and four longer (2.22 Å) Mg–O bond lengths. There are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.04 Å. In the second Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Au2+ atoms to form a mixture of distorted edge and corner-sharing OMg2Au2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Mg2+ and one Au2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-997032
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; MgAuO2; Au-Mg-O
OSTI Identifier:
1317150
DOI:
https://doi.org/10.17188/1317150

Citation Formats

The Materials Project. Materials Data on MgAuO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317150.
The Materials Project. Materials Data on MgAuO2 by Materials Project. United States. doi:https://doi.org/10.17188/1317150
The Materials Project. 2020. "Materials Data on MgAuO2 by Materials Project". United States. doi:https://doi.org/10.17188/1317150. https://www.osti.gov/servlets/purl/1317150. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1317150,
title = {Materials Data on MgAuO2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgAuO2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form a mixture of face, edge, and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two shorter (2.07 Å) and four longer (2.22 Å) Mg–O bond lengths. There are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.04 Å. In the second Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Au2+ atoms to form a mixture of distorted edge and corner-sharing OMg2Au2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Mg2+ and one Au2+ atom.},
doi = {10.17188/1317150},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}