Materials Data on As2Se3 by Materials Project
As2Se3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two As2Se3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are a spread of As–Se bond distances ranging from 2.43–2.47 Å. In the second As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.42 Å) and two longer (2.47 Å) As–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two As3+ atoms. In the second Se2- site, Se2- is bonded in a water-like geometry to two As3+ atoms. In the third Se2- site, Se2- is bonded in an L-shaped geometry to two As3+ atoms.