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Title: Materials Data on AgI3N2O by Materials Project

Abstract

(AgI3)2N2(NO)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four ammonia molecules; four AgI3 ribbons oriented in the (1, 0, 0) direction; and four NO ribbons oriented in the (1, 0, 0) direction. In each AgI3 ribbon, Ag3+ is bonded to four I1- atoms to form distorted corner-sharing AgI4 tetrahedra. There are a spread of Ag–I bond distances ranging from 2.79–2.92 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to one Ag3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to one Ag3+ atom. In the third I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Ag3+ atoms. In each NO ribbon, N1+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.57 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent N1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1194352
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; AgI3N2O; Ag-I-N-O
OSTI Identifier:
1672377
DOI:
https://doi.org/10.17188/1672377

Citation Formats

The Materials Project. Materials Data on AgI3N2O by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672377.
The Materials Project. Materials Data on AgI3N2O by Materials Project. United States. doi:https://doi.org/10.17188/1672377
The Materials Project. 2019. "Materials Data on AgI3N2O by Materials Project". United States. doi:https://doi.org/10.17188/1672377. https://www.osti.gov/servlets/purl/1672377. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1672377,
title = {Materials Data on AgI3N2O by Materials Project},
author = {The Materials Project},
abstractNote = {(AgI3)2N2(NO)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four ammonia molecules; four AgI3 ribbons oriented in the (1, 0, 0) direction; and four NO ribbons oriented in the (1, 0, 0) direction. In each AgI3 ribbon, Ag3+ is bonded to four I1- atoms to form distorted corner-sharing AgI4 tetrahedra. There are a spread of Ag–I bond distances ranging from 2.79–2.92 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to one Ag3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to one Ag3+ atom. In the third I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Ag3+ atoms. In each NO ribbon, N1+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.57 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent N1+ atoms.},
doi = {10.17188/1672377},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}