SrCaI4 is Rutile-derived structured and crystallizes in the orthorhombic Pbcn space group. Sr(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form SrI6 octahedra that share corners with six equivalent Ca(1)I6 octahedra,  an edgeedge with one Ca(1)I6 octahedra, and edges with two equivalent Sr(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. Ca(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form CaI6 octahedra that share corners with four equivalent Ca(1)I6 octahedra, corners with six equivalent Sr(1)I6 octahedra, and  an edgeedge with one Sr(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ca(1) atom. In the second I site, I(2) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Ca(1) atoms.
SrCaI4 is Rutile-derived structured and crystallizes in the orthorhombic Pbcn space group. Sr(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form SrI6 octahedra that share corners with six equivalent Ca(1)I6 octahedra,  an edgeedge with one Ca(1)I6 octahedra, and edges with two equivalent Sr(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. Both Sr(1)-I(2) bond lengths are 3.28 Å. There are two shorter (3.29 Å) and two longer (3.32 Å) Sr(1)-I(1) bond lengths. Ca(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form CaI6 octahedra that share corners with four equivalent Ca(1)I6 octahedra, corners with six equivalent Sr(1)I6 octahedra, and  an edgeedge with one Sr(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. Both Ca(1)-I(1) bond lengths are 3.16 Å. There are two shorter (3.17 Å) and two longer (3.22 Å) Ca(1)-I(2) bond lengths. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ca(1) atom. In the second I site, I(2) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Ca(1) atoms.