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Title: Materials Data on CdAuO2 by Materials Project

Abstract

AuCdO2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.10 Å. In the second Au2+ site, Au2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.06 Å. Cd2+ is bonded to six O2- atoms to form a mixture of face, edge, and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are two shorter (2.30 Å) and four longer (2.41 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Au2+ and four equivalent Cd2+ atoms. In the second O2- site, O2- is bonded to two equivalent Au2+ and two equivalent Cd2+ atoms to form a mixture of edge and corner-sharing OCd2Au2 tetrahedra.

Publication Date:
Other Number(s):
mp-997037
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CdAuO2; Au-Cd-O
OSTI Identifier:
1317155
DOI:
https://doi.org/10.17188/1317155

Citation Formats

The Materials Project. Materials Data on CdAuO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317155.
The Materials Project. Materials Data on CdAuO2 by Materials Project. United States. doi:https://doi.org/10.17188/1317155
The Materials Project. 2020. "Materials Data on CdAuO2 by Materials Project". United States. doi:https://doi.org/10.17188/1317155. https://www.osti.gov/servlets/purl/1317155. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317155,
title = {Materials Data on CdAuO2 by Materials Project},
author = {The Materials Project},
abstractNote = {AuCdO2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.10 Å. In the second Au2+ site, Au2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.06 Å. Cd2+ is bonded to six O2- atoms to form a mixture of face, edge, and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are two shorter (2.30 Å) and four longer (2.41 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Au2+ and four equivalent Cd2+ atoms. In the second O2- site, O2- is bonded to two equivalent Au2+ and two equivalent Cd2+ atoms to form a mixture of edge and corner-sharing OCd2Au2 tetrahedra.},
doi = {10.17188/1317155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}