Materials Data on AlSe2NO8 by Materials Project

Abstract

(Al(SeO4)2)2N2 crystallizes in the trigonal P321 space group. The structure is two-dimensional and consists of one ammonia molecule and one Al(SeO4)2 sheet oriented in the (0, 0, 1) direction. In the Al(SeO4)2 sheet, Al3+ is bonded to six equivalent O2- atoms to form distorted AlO6 pentagonal pyramids that share corners with six equivalent SeO4 tetrahedra. All Al–O bond lengths are 1.92 Å. Se4+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with three equivalent AlO6 pentagonal pyramids. There is one shorter (1.63 Å) and three longer (1.68 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Se4+ atom.