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Materials Data on AgH3CN2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1655137· OSTI ID:1655137
AgCN2H3 crystallizes in the orthorhombic Pbcm space group. The structure is zero-dimensional and consists of four AgCN2H3 clusters. Ag1+ is bonded in a linear geometry to one C2+ and one N3- atom. The Ag–C bond length is 2.03 Å. The Ag–N bond length is 2.14 Å. C2+ is bonded in a linear geometry to one Ag1+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one C2+ atom. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and three H1+ atoms. There is two shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- 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:
1655137
Report Number(s):
mp-1193968
Country of Publication:
United States
Language:
English

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