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Title: Materials Data on Ca(AuO2)2 by Materials Project

Abstract

Ca(AuO2)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.48 Å) and four longer (2.59 Å) Ca–O bond lengths. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Ca2+ and two equivalent Au3+ atoms to form a mixture of edge and corner-sharing OCa2Au2 tetrahedra.

Publication Date:
Other Number(s):
mp-2898
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; Ca(AuO2)2; Au-Ca-O
OSTI Identifier:
1203035
DOI:
https://doi.org/10.17188/1203035

Citation Formats

The Materials Project. Materials Data on Ca(AuO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203035.
The Materials Project. Materials Data on Ca(AuO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1203035
The Materials Project. 2020. "Materials Data on Ca(AuO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1203035. https://www.osti.gov/servlets/purl/1203035. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203035,
title = {Materials Data on Ca(AuO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(AuO2)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.48 Å) and four longer (2.59 Å) Ca–O bond lengths. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Ca2+ and two equivalent Au3+ atoms to form a mixture of edge and corner-sharing OCa2Au2 tetrahedra.},
doi = {10.17188/1203035},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}