Cs3Re3(SI)4 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded in a distorted q6 geometry to four equivalent S(1), two equivalent I(2), and four equivalent I(1) atoms. Re(1) is bonded to four equivalent S(1) and one I(1) atom to form distorted edge-sharing ReS4I square pyramids. S(1) is bonded in a 6-coordinate geometry to three equivalent Cs(1) and three equivalent Re(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to four equivalent Cs(1) and one Re(1) atom to form distorted ICs4Re square pyramids that share corners with twelve equivalent I(1)Cs4Re square pyramids and edges with four equivalent I(2)Cs6 octahedra. In the second I site, I(2) is bonded to six equivalent Cs(1) atoms to form ICs6 octahedra that share corners with six equivalent I(2)Cs6 octahedra and edges with twelve equivalent I(1)Cs4Re square pyramids. The corner-sharing octahedra are not tilted.
Cs3Re3(SI)4 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded in a distorted q6 geometry to four equivalent S(1), two equivalent I(2), and four equivalent I(1) atoms. All Cs(1)-S(1) bond lengths are 3.72 Å. Both Cs(1)-I(2) bond lengths are 4.05 Å. All Cs(1)-I(1) bond lengths are 4.10 Å. Re(1) is bonded to four equivalent S(1) and one I(1) atom to form distorted edge-sharing ReS4I square pyramids. All Re(1)-S(1) bond lengths are 2.43 Å. The Re(1)-I(1) bond length is 2.83 Å. S(1) is bonded in a 6-coordinate geometry to three equivalent Cs(1) and three equivalent Re(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to four equivalent Cs(1) and one Re(1) atom to form distorted ICs4Re square pyramids that share corners with twelve equivalent I(1)Cs4Re square pyramids and edges with four equivalent I(2)Cs6 octahedra. In the second I site, I(2) is bonded to six equivalent Cs(1) atoms to form ICs6 octahedra that share corners with six equivalent I(2)Cs6 octahedra and edges with twelve equivalent I(1)Cs4Re square pyramids. The corner-sharing octahedra are not tilted.