BaSrI4 crystallizes in the orthorhombic Pbcn space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and four equivalent I(2) atoms. Sr(1) is bonded in a 6-coordinate geometry to two equivalent I(1) and four equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to two equivalent Ba(1) and one Sr(1) atom. In the second I site, I(2) is bonded to two equivalent Ba(1) and two equivalent Sr(1) atoms to form a mixture of corner and edge-sharing IBa2Sr2 tetrahedra.
BaSrI4 crystallizes in the orthorhombic Pbcn space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and four equivalent I(2) atoms. There are two shorter (3.47 Å) and two longer (3.88 Å) Ba(1)-I(1) bond lengths. There are two shorter (3.56 Å) and two longer (3.85 Å) Ba(1)-I(2) bond lengths. Sr(1) is bonded in a 6-coordinate geometry to two equivalent I(1) and four equivalent I(2) atoms. Both Sr(1)-I(1) bond lengths are 3.26 Å. There are two shorter (3.30 Å) and two longer (3.47 Å) Sr(1)-I(2) bond lengths. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to two equivalent Ba(1) and one Sr(1) atom. In the second I site, I(2) is bonded to two equivalent Ba(1) and two equivalent Sr(1) atoms to form a mixture of corner and edge-sharing IBa2Sr2 tetrahedra.