BaOI2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a distorted bent 120 degrees geometry to two equivalent O(1) and four equivalent I(1) atoms. O(1) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one I(2) atom. There are two inequivalent I sites. In the first I site, I(2) is bonded in a single-bond geometry to one O(1) atom. In the second I site, I(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing IBa4 tetrahedra.
BaOI2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a distorted bent 120 degrees geometry to two equivalent O(1) and four equivalent I(1) atoms. Both Ba(1)-O(1) bond lengths are 2.62 Å. There are a spread of Ba(1)-I(1) bond distances ranging from 3.57-3.70 Å. O(1) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one I(2) atom. The O(1)-I(2) bond length is 1.98 Å. There are two inequivalent I sites. In the first I site, I(2) is bonded in a single-bond geometry to one O(1) atom. In the second I site, I(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing IBa4 tetrahedra.