Sr3CaI8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. I(1) is bonded to one Sr(2), two equivalent Sr(1), and one Ca(1) atom to form a mixture of corner and edge-sharing ISr3Ca tetrahedra.
Sr3CaI8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. All Sr(1)-I(1) bond lengths are 3.48 Å. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. All Sr(2)-I(1) bond lengths are 3.49 Å. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. All Ca(1)-I(1) bond lengths are 3.42 Å. I(1) is bonded to one Sr(2), two equivalent Sr(1), and one Ca(1) atom to form a mixture of corner and edge-sharing ISr3Ca tetrahedra.