Materials Data on Rb2As3 by Materials Project

Abstract

Rb2As3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to eight As+0.67- atoms to form a mixture of face, edge, and corner-sharing RbAs8 hexagonal bipyramids. There are four shorter (3.72 Å) and four longer (3.77 Å) Rb–As bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten As+0.67- atoms. There are six shorter (3.63 Å) and four longer (3.75 Å) Rb–As bond lengths. There are two inequivalent As+0.67- sites. In the first As+0.67- site, As+0.67- is bonded in a 8-coordinate geometry to six Rb1+ and two As+0.67- atoms. There are one shorter (2.42 Å) and one longer (2.43 Å) As–As bond lengths. In the second As+0.67- site, As+0.67- is bonded in a 8-coordinate geometry to six Rb1+ and two equivalent As+0.67- atoms.