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Materials Data on Ag3C(NO2)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1675664· OSTI ID:1675664

AgCN(AgNO3)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional and consists of two AgCN ribbons oriented in the (1, 0, 0) direction and one AgNO3 framework. In each AgCN ribbon, Ag1+ is bonded in a distorted linear geometry to one C4+ and one N+1.67+ atom. The Ag–C bond length is 2.05 Å. The Ag–N bond length is 2.10 Å. C4+ is bonded in a linear geometry to one Ag1+ and one N+1.67+ atom. The C–N bond length is 1.18 Å. N+1.67+ is bonded in a linear geometry to one Ag1+ and one C4+ atom. In the AgNO3 framework, there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.49–2.92 Å. In the second Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.47–2.93 Å. There are two inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. In the second N+1.67+ site, N+1.67+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.28 Å) N–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one N+1.67+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one N+1.67+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag1+ and one N+1.67+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag1+ and one N+1.67+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ag1+ and one N+1.67+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag1+ and one N+1.67+ atom.

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:
1675664
Report Number(s):
mp-1229212
Country of Publication:
United States
Language:
English

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