Materials Data on K2AsAuBr6 by Materials Project
K2AuAsBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent AuBr6 octahedra, and faces with four equivalent AsBr6 octahedra. All K–Br bond lengths are 3.86 Å. Au1- is bonded to six equivalent Br1- atoms to form AuBr6 octahedra that share corners with six equivalent AsBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Br bond lengths are 2.78 Å. As5+ is bonded to six equivalent Br1- atoms to form AsBr6 octahedra that share corners with six equivalent AuBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–Br bond lengths are 2.68 Å. Br1- is bonded to four equivalent K1+, one Au1-, and one As5+ atom to form a mixture of distorted face, edge, and corner-sharing BrK4AsAu octahedra. The corner-sharing octahedra tilt angles range from 0–60°.