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Materials Data on AgI3N2 by Materials Project

AgN2I3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four AgN2I3 ribbons oriented in the (1, 0, 0) direction. Ag1+ is bonded in a 4-coordinate geometry to four I1- atoms. There are two shorter (2.90 Å) and two longer (2.97 Å) Ag–I bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a water-like geometry to two equivalent I1- atoms. Both N–I bond lengths are 2.13 Å. In the second N1+ site, N1+ is bonded in a water-like geometry to two equivalent I1- atoms. Both N–I bond lengths are 2.08 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ag1+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and two equivalent N1+ atoms. In the third I1- site, I1- is bonded in a trigonal non-coplanar geometry to one Ag1+ and two equivalent N1+ atoms.

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