Sr2CaI6 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded to two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms to form distorted edge-sharing SrI6 pentagonal pyramids. Ca(1) is bonded in a 8-coordinate geometry to two equivalent I(1), two equivalent I(2), and four equivalent I(3) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded in a T-shaped geometry to two equivalent Sr(1) and one Ca(1) atom. In the second I site, I(2) is bonded in a distorted T-shaped geometry to two equivalent Sr(1) and one Ca(1) atom. In the third I site, I(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1) and two equivalent Ca(1) atoms.
Sr2CaI6 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded to two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms to form distorted edge-sharing SrI6 pentagonal pyramids. There is one shorter (3.27 Å) and one longer (3.37 Å) Sr(1)-I(1) bond length. There is one shorter (3.36 Å) and one longer (3.40 Å) Sr(1)-I(2) bond length. There is one shorter (3.34 Å) and one longer (3.36 Å) Sr(1)-I(3) bond length. Ca(1) is bonded in a 8-coordinate geometry to two equivalent I(1), two equivalent I(2), and four equivalent I(3) atoms. Both Ca(1)-I(1) bond lengths are 3.21 Å. Both Ca(1)-I(2) bond lengths are 3.24 Å. There are two shorter (3.57 Å) and two longer (3.80 Å) Ca(1)-I(3) bond lengths. There are three inequivalent I sites. In the first I site, I(1) is bonded in a T-shaped geometry to two equivalent Sr(1) and one Ca(1) atom. In the second I site, I(2) is bonded in a distorted T-shaped geometry to two equivalent Sr(1) and one Ca(1) atom. In the third I site, I(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1) and two equivalent Ca(1) atoms.