Materials Data on As4N2Cl2O7 by Materials Project

Abstract

N2As4O7Cl2 crystallizes in the hexagonal P6/mmm space group. The structure is two-dimensional and consists of two hydrochloric acid molecules; one As4O7 sheet oriented in the (0, 0, 1) direction; and one N2 sheet oriented in the (0, 0, 1) direction. In the As4O7 sheet, As5+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All As–O bond lengths are 1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ and two equivalent O2- atoms. Both O–O bond lengths are 3.12 Å. In the second O2- site, O2- is bonded to twelve equivalent O2- atoms to form edge-sharing OO12 cuboctahedra. In the N2 sheet, N2- is bonded in a distorted trigonal planar geometry to three equivalent N2- atoms. All N–N bond lengths are 3.08 Å.