Materials Data on Cd2Se3N2O15 by Materials Project
Cd2Se3O14N2O crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional and consists of two hydroxylamine, o-amino- molecules and one Cd2Se3O14 framework. In the Cd2Se3O14 framework, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with five SeO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.26–2.39 Å. There are two inequivalent Se+5.33+ sites. In the first Se+5.33+ site, Se+5.33+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with two equivalent CdO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Se–O bond distances ranging from 1.64–1.74 Å. In the second Se+5.33+ site, Se+5.33+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 51–55°. There is one shorter (1.67 Å) and three longer (1.68 Å) Se–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Cd2+ and one Se+5.33+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cd2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Se+5.33+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Se+5.33+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one Se+5.33+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cd2+ and one Se+5.33+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Cd2+ and one Se+5.33+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one Se+5.33+ atom.