Ca3SbI3 crystallizes in the cubic I4_132 space group. Ca(1) is bonded to two equivalent Sb(1) and four equivalent I(1) atoms to form a mixture of corner and edge-sharing CaSb2I4 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. Sb(1) is bonded to six equivalent Ca(1) atoms to form edge-sharing SbCa6 octahedra. I(1) is bonded in a rectangular see-saw-like geometry to four equivalent Ca(1) atoms.
Ca3SbI3 crystallizes in the cubic I4_132 space group. Ca(1) is bonded to two equivalent Sb(1) and four equivalent I(1) atoms to form a mixture of corner and edge-sharing CaSb2I4 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. Both Ca(1)-Sb(1) bond lengths are 3.10 Å. There are two shorter (3.23 Å) and two longer (3.31 Å) Ca(1)-I(1) bond lengths. Sb(1) is bonded to six equivalent Ca(1) atoms to form edge-sharing SbCa6 octahedra. I(1) is bonded in a rectangular see-saw-like geometry to four equivalent Ca(1) atoms.