skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CdAuO2 by Materials Project

Abstract

AuCdO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) Au–O bond lengths. In the second Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.05 Å. Cd2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.44 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Au2+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCd2Au2 trigonal pyramids. In the second O2- site, O2- is bonded to one Au2+ and three equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCd3Au trigonal pyramids.

Publication Date:
Other Number(s):
mp-997036
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:
1317154
DOI:
10.17188/1317154

Citation Formats

The Materials Project. Materials Data on CdAuO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317154.
The Materials Project. Materials Data on CdAuO2 by Materials Project. United States. doi:10.17188/1317154.
The Materials Project. 2020. "Materials Data on CdAuO2 by Materials Project". United States. doi:10.17188/1317154. https://www.osti.gov/servlets/purl/1317154. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1317154,
title = {Materials Data on CdAuO2 by Materials Project},
author = {The Materials Project},
abstractNote = {AuCdO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) Au–O bond lengths. In the second Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.05 Å. Cd2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.44 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Au2+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCd2Au2 trigonal pyramids. In the second O2- site, O2- is bonded to one Au2+ and three equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCd3Au trigonal pyramids.},
doi = {10.17188/1317154},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: