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Materials Data on AgI3N2O by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1672377· OSTI ID:1672377
(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.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1672377
Report Number(s):
mp-1194352
Country of Publication:
United States
Language:
English

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