BaCaI4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. Ba(1) 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 two equivalent Ba(1) and two equivalent Ca(1) atoms to form a mixture of corner and edge-sharing IBa2Ca2 tetrahedra.
BaCaI4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. All Ba(1)-I(1) bond lengths are 3.58 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 3.44 Å. I(1) is bonded to two equivalent Ba(1) and two equivalent Ca(1) atoms to form a mixture of corner and edge-sharing IBa2Ca2 tetrahedra.