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Title: Materials Data on NaAgI2O3 by Materials Project

Abstract

NaAgO3II crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional and consists of eight hydriodic acid molecules and one NaAgO3I framework. In the NaAgO3I framework, Na1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–3.09 Å. Ag1+ is bonded in a distorted single-bond geometry to one O2- and three equivalent I2+ atoms. The Ag–O bond length is 2.17 Å. There are one shorter (2.85 Å) and two longer (2.87 Å) Ag–I bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one O2- atom. The O–O bond length is 1.24 Å. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Na1+ and one O2- atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Ag1+ atom. I2+ is bonded in a trigonal non-coplanar geometry to three equivalent Ag1+ atoms.

Publication Date:
Other Number(s):
mp-1180419
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; NaAgI2O3; Ag-I-Na-O
OSTI Identifier:
1654420
DOI:
https://doi.org/10.17188/1654420

Citation Formats

The Materials Project. Materials Data on NaAgI2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1654420.
The Materials Project. Materials Data on NaAgI2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1654420
The Materials Project. 2020. "Materials Data on NaAgI2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1654420. https://www.osti.gov/servlets/purl/1654420. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1654420,
title = {Materials Data on NaAgI2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaAgO3II crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional and consists of eight hydriodic acid molecules and one NaAgO3I framework. In the NaAgO3I framework, Na1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–3.09 Å. Ag1+ is bonded in a distorted single-bond geometry to one O2- and three equivalent I2+ atoms. The Ag–O bond length is 2.17 Å. There are one shorter (2.85 Å) and two longer (2.87 Å) Ag–I bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one O2- atom. The O–O bond length is 1.24 Å. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Na1+ and one O2- atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Ag1+ atom. I2+ is bonded in a trigonal non-coplanar geometry to three equivalent Ag1+ atoms.},
doi = {10.17188/1654420},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}