SrCaI4 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to one I(3), two equivalent I(1), two equivalent I(4), and three equivalent I(2) atoms. Ca(1) is bonded to one I(2), one I(4), two equivalent I(1), and two equivalent I(3) atoms to form a mixture of distorted corner and edge-sharing CaI6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Ca(1) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Ca(1) atom. In the third I site, I(3) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Ca(1) atoms. In the fourth I site, I(4) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ca(1) atom.
SrCaI4 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to one I(3), two equivalent I(1), two equivalent I(4), and three equivalent I(2) atoms. The Sr(1)-I(3) bond length is 3.42 Å. There is one shorter (3.41 Å) and one longer (3.80 Å) Sr(1)-I(1) bond length. There is one shorter (3.34 Å) and one longer (3.42 Å) Sr(1)-I(4) bond length. There are a spread of Sr(1)-I(2) bond distances ranging from 3.43-4.01 Å. Ca(1) is bonded to one I(2), one I(4), two equivalent I(1), and two equivalent I(3) atoms to form a mixture of distorted corner and edge-sharing CaI6 octahedra. The corner-sharing octahedral tilt angles are 55°. The Ca(1)-I(2) bond length is 3.10 Å. The Ca(1)-I(4) bond length is 3.20 Å. There is one shorter (3.15 Å) and one longer (3.26 Å) Ca(1)-I(1) bond length. There is one shorter (3.10 Å) and one longer (3.11 Å) Ca(1)-I(3) bond length. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Ca(1) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Ca(1) atom. In the third I site, I(3) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Ca(1) atoms. In the fourth I site, I(4) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ca(1) atom.