Materials Data on AsSe by Materials Project

Abstract

AsSe is BCT5-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four AsSe clusters. there are four inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in an L-shaped geometry to two Se2- atoms. Both As–Se bond lengths are 2.41 Å. In the second As2+ site, As2+ is bonded in an L-shaped geometry to two Se2- atoms. Both As–Se bond lengths are 2.41 Å. In the third As2+ site, As2+ is bonded in an L-shaped geometry to two Se2- atoms. Both As–Se bond lengths are 2.41 Å. In the fourth As2+ site, As2+ is bonded in an L-shaped geometry to two Se2- atoms. Both As–Se bond lengths are 2.40 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two As2+ atoms. In the second Se2- site, Se2- is bonded in a water-like geometry to two As2+ atoms. In the third Se2- site, Se2- is bonded in a water-like geometry to two As2+ atoms. In the fourth Se2- site, Se2- is bonded in a water-like geometry to two As2+ atoms.