Materials Data on AgCNO by Materials Project

Abstract

AgNCO crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ag1+ is bonded in a square co-planar geometry to two equivalent C4+ and two equivalent N3- atoms. Both Ag–C bond lengths are 2.12 Å. Both Ag–N bond lengths are 2.03 Å. C4+ is bonded in a square co-planar geometry to two equivalent Ag1+ and two equivalent O2- atoms. Both C–O bond lengths are 2.03 Å. N3- is bonded to two equivalent Ag1+ and four equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NAg2O4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.12 Å) and two longer (2.50 Å) N–O bond lengths. O2- is bonded to two equivalent C4+ and four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing OC2N4 octahedra. The corner-sharing octahedral tilt angles are 0°.