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Title: Materials Data on Ag7NO11 by Materials Project

Abstract

Ag7O8NO3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Ag+2.43+ sites. In the first Ag+2.43+ site, Ag+2.43+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.33–2.47 Å. In the second Ag+2.43+ site, Ag+2.43+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing AgO6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of Ag–O bond distances ranging from 2.11–2.61 Å. In the third Ag+2.43+ site, Ag+2.43+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.10 Å) and two longer (2.11 Å) Ag–O bond lengths. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.26 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ag+2.43+ atoms to form a mixture of edge and corner-sharing OAg4 tetrahedra. In the second O2- site, O2- is bonded to four Ag+2.43+ atoms to form a mixture of distorted edge and corner-sharing OAg4 tetrahedra. In the third O2- site, O2- is bondedmore » to four Ag+2.43+ atoms to form a mixture of edge and corner-sharing OAg4 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag+2.43+ and one N5+ atom. In the fifth O2- site, O2- is bonded to four Ag+2.43+ atoms to form a mixture of distorted edge and corner-sharing OAg4 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-34787
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; Ag7NO11; Ag-N-O
OSTI Identifier:
1206890
DOI:
https://doi.org/10.17188/1206890

Citation Formats

The Materials Project. Materials Data on Ag7NO11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206890.
The Materials Project. Materials Data on Ag7NO11 by Materials Project. United States. doi:https://doi.org/10.17188/1206890
The Materials Project. 2020. "Materials Data on Ag7NO11 by Materials Project". United States. doi:https://doi.org/10.17188/1206890. https://www.osti.gov/servlets/purl/1206890. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1206890,
title = {Materials Data on Ag7NO11 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag7O8NO3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Ag+2.43+ sites. In the first Ag+2.43+ site, Ag+2.43+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.33–2.47 Å. In the second Ag+2.43+ site, Ag+2.43+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing AgO6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of Ag–O bond distances ranging from 2.11–2.61 Å. In the third Ag+2.43+ site, Ag+2.43+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.10 Å) and two longer (2.11 Å) Ag–O bond lengths. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.26 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ag+2.43+ atoms to form a mixture of edge and corner-sharing OAg4 tetrahedra. In the second O2- site, O2- is bonded to four Ag+2.43+ atoms to form a mixture of distorted edge and corner-sharing OAg4 tetrahedra. In the third O2- site, O2- is bonded to four Ag+2.43+ atoms to form a mixture of edge and corner-sharing OAg4 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag+2.43+ and one N5+ atom. In the fifth O2- site, O2- is bonded to four Ag+2.43+ atoms to form a mixture of distorted edge and corner-sharing OAg4 tetrahedra.},
doi = {10.17188/1206890},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}