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Title: Materials Data on CdAgO2 by Materials Project

Abstract

AgCdO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share corners with six equivalent AgO6 octahedra, edges with four AgO6 octahedra, and edges with eight equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. There are a spread of Ag–O bond distances ranging from 2.10–2.82 Å. In the second Ag2+ site, Ag2+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with six equivalent AgO6 octahedra, edges with four AgO6 octahedra, and edges with eight equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. There are a spread of Ag–O bond distances ranging from 2.16–2.70 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CdO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight AgO6 octahedra. The corner-sharing octahedra tilt angles range from 9–22°. There are a spread of Cd–O bond distances ranging from 2.37–2.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag2+ andmore » four equivalent Cd2+ atoms to form a mixture of edge and corner-sharing OCd4Ag2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Ag2+ and two equivalent Cd2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-996963
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; CdAgO2; Ag-Cd-O
OSTI Identifier:
1317084
DOI:
https://doi.org/10.17188/1317084

Citation Formats

The Materials Project. Materials Data on CdAgO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317084.
The Materials Project. Materials Data on CdAgO2 by Materials Project. United States. doi:https://doi.org/10.17188/1317084
The Materials Project. 2020. "Materials Data on CdAgO2 by Materials Project". United States. doi:https://doi.org/10.17188/1317084. https://www.osti.gov/servlets/purl/1317084. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317084,
title = {Materials Data on CdAgO2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgCdO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share corners with six equivalent AgO6 octahedra, edges with four AgO6 octahedra, and edges with eight equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. There are a spread of Ag–O bond distances ranging from 2.10–2.82 Å. In the second Ag2+ site, Ag2+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with six equivalent AgO6 octahedra, edges with four AgO6 octahedra, and edges with eight equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. There are a spread of Ag–O bond distances ranging from 2.16–2.70 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CdO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight AgO6 octahedra. The corner-sharing octahedra tilt angles range from 9–22°. There are a spread of Cd–O bond distances ranging from 2.37–2.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag2+ and four equivalent Cd2+ atoms to form a mixture of edge and corner-sharing OCd4Ag2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Ag2+ and two equivalent Cd2+ atoms.},
doi = {10.17188/1317084},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}