Materials Data on Ag9Ge2NO11 by Materials Project

Abstract

Ag9Ge2NO11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 trigonal pyramids that share corners with three GeO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.31–2.68 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.47 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.18–2.83 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.84 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.78 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.30 Å) and two longer (2.36 Å) Ag–O bond lengths. In the seventh Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.20–2.88 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.20–2.87 Å. In the ninth Ag1+ site, Ag1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.16 Å) and one longer (2.76 Å) Ag–O bond lengths. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent AgO4 trigonal pyramids. There is two shorter (1.78 Å) and two longer (1.79 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one AgO4 trigonal pyramid. There are a spread of Ge–O bond distances ranging from 1.78–1.80 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the second O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the third O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the fourth O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the fifth O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the sixth O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the seventh O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the eighth O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one N5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one N5+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one N5+ atom.