Materials Data on Cd6Sb5 by Materials Project

Abstract

(Cd2Sb)3(Sb)2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional and consists of three Sb ribbons oriented in the (0, 0, 1) direction and one Cd2Sb framework. In each Sb ribbon, Sb+2.40- is bonded in a linear geometry to two equivalent Sb+2.40- atoms. There are one shorter (2.49 Å) and one longer (2.64 Å) Sb–Sb bond lengths. In the Cd2Sb framework, Cd2+ is bonded in a 2-coordinate geometry to one Cd2+ and two equivalent Sb+2.40- atoms. The Cd–Cd bond length is 2.73 Å. There are one shorter (2.78 Å) and one longer (3.05 Å) Cd–Sb bond lengths. Sb+2.40- is bonded in a 4-coordinate geometry to four equivalent Cd2+ atoms.