Materials Data on AgBiSCl2 by Materials Project

Abstract

AgBiSCl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ag1+ is bonded to two equivalent S2- and four equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing AgS2Cl4 octahedra. The corner-sharing octahedral tilt angles are 57°. Both Ag–S bond lengths are 2.47 Å. All Ag–Cl bond lengths are 3.09 Å. Bi3+ is bonded in a 8-coordinate geometry to two equivalent S2- and six equivalent Cl1- atoms. Both Bi–S bond lengths are 2.71 Å. There are two shorter (2.81 Å) and four longer (3.21 Å) Bi–Cl bond lengths. S2- is bonded to two equivalent Ag1+ and two equivalent Bi3+ atoms to form distorted corner-sharing SAg2Bi2 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to two equivalent Ag1+ and three equivalent Bi3+ atoms.