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Title: Materials Data on Ag7NO6 by Materials Project

Abstract

Ag7NO6 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to twelve equivalent Ag1+ atoms to form distorted AgAg12 cuboctahedra that share corners with twelve equivalent AgAg12 cuboctahedra and faces with eight OAg6 octahedra. All Ag–Ag bond lengths are 3.33 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ag1+ and four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.32–2.40 Å. N5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All N–O bond lengths are 1.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Ag1+ atoms to form OAg6 octahedra that share corners with six equivalent OAg6 octahedra and faces with four equivalent AgAg12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to six equivalent Ag1+ atoms to form OAg6 octahedra that share corners with six equivalent OAg6 octahedra and faces with four equivalent AgAg12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2-more » is bonded in a 4-coordinate geometry to three equivalent Ag1+ and one N5+ atom.« less

Publication Date:
Other Number(s):
mp-696470
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; Ag7NO6; Ag-N-O
OSTI Identifier:
1285003
DOI:
10.17188/1285003

Citation Formats

The Materials Project. Materials Data on Ag7NO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285003.
The Materials Project. Materials Data on Ag7NO6 by Materials Project. United States. doi:10.17188/1285003.
The Materials Project. 2020. "Materials Data on Ag7NO6 by Materials Project". United States. doi:10.17188/1285003. https://www.osti.gov/servlets/purl/1285003. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1285003,
title = {Materials Data on Ag7NO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag7NO6 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to twelve equivalent Ag1+ atoms to form distorted AgAg12 cuboctahedra that share corners with twelve equivalent AgAg12 cuboctahedra and faces with eight OAg6 octahedra. All Ag–Ag bond lengths are 3.33 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ag1+ and four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.32–2.40 Å. N5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All N–O bond lengths are 1.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Ag1+ atoms to form OAg6 octahedra that share corners with six equivalent OAg6 octahedra and faces with four equivalent AgAg12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to six equivalent Ag1+ atoms to form OAg6 octahedra that share corners with six equivalent OAg6 octahedra and faces with four equivalent AgAg12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ag1+ and one N5+ atom.},
doi = {10.17188/1285003},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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