BiI3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Bi(1) is bonded in a body-centered cubic geometry to eight equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a body-centered cubic geometry to eight equivalent I(2) atoms. In the second I site, I(2) is bonded to four equivalent Bi(1) and four equivalent I(1) atoms to form a mixture of corner, face, and edge-sharing IBi4I4 tetrahedra.
BiI3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Bi(1) is bonded in a body-centered cubic geometry to eight equivalent I(2) atoms. All Bi(1)-I(2) bond lengths are 3.52 Å. There are two inequivalent I sites. In the first I site, I(1) is bonded in a body-centered cubic geometry to eight equivalent I(2) atoms. All I(1)-I(2) bond lengths are 3.52 Å. In the second I site, I(2) is bonded to four equivalent Bi(1) and four equivalent I(1) atoms to form a mixture of corner, face, and edge-sharing IBi4I4 tetrahedra.