Materials Data on Ge2N2O by Materials Project

Abstract

Ge2N2O crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to three N3- and one O2- atom to form corner-sharing GeN3O tetrahedra. There are a spread of Ge–N bond distances ranging from 1.82–1.85 Å. The Ge–O bond length is 1.80 Å. In the second Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.86–1.89 Å. In the third Ge4+ site, Ge4+ is bonded to three N3- and one O2- atom to form corner-sharing GeN3O tetrahedra. There are a spread of Ge–N bond distances ranging from 1.84–1.88 Å. The Ge–O bond length is 1.83 Å. In the fourth Ge4+ site, Ge4+ is bonded to two N3- and two O2- atoms to form corner-sharing GeN2O2 tetrahedra. Both Ge–N bond lengths are 1.87 Å. Both Ge–O bond lengths are 1.80 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three Ge4+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to three Ge4+ atoms. In the third N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to three Ge4+ atoms. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to three Ge4+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Ge4+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms.