Materials Data on Rb2Cd5As4 by Materials Project

Abstract

Rb2Cd5As4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (3.63 Å) and two longer (3.78 Å) Rb–As bond lengths. There are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.69–2.90 Å. In the second Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.69–2.92 Å. In the third Cd2+ site, Cd2+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (2.79 Å) and two longer (2.84 Å) Cd–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 7-coordinate geometry to two equivalent Rb1+ and five Cd2+ atoms. In the second As3- site, As3- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and five Cd2+ atoms.