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Title: Materials Data on AgCN3O2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1271494· OSTI ID:1271494

AgCN3O2 crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of two AgCN3O2 sheets oriented in the (0, 1, 0) direction. Ag1+ is bonded in a 7-coordinate geometry to two N+0.33- and one O2- atom. There are one shorter (2.16 Å) and one longer (2.24 Å) Ag–N bond lengths. The Ag–O bond length is 2.58 Å. C4+ is bonded in a linear geometry to two N+0.33- atoms. There is one shorter (1.17 Å) and one longer (1.31 Å) C–N bond length. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted linear geometry to one Ag1+ and one C4+ atom. In the second N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one Ag1+, one C4+, and one N+0.33- atom. The N–N bond length is 1.38 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to one N+0.33- and two O2- atoms. Both N–O bond lengths are 1.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+0.33- atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ag1+ and one N+0.33- atom.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1271494
Report Number(s):
mp-560460
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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