DOE OSTI2020
O3Br2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four O3Br2 clusters and two O3Br2 ribbons oriented in the (0, 1, 0) direction. In each O3Br2 cluster, there are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two Br atoms. There is one shorter (1.89 Å) and one longer (1.90 Å) O–Br bond length. In the second O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. In the third O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. There are two inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one O atom. In the second Br site, Br is bonded in a trigonal non-coplanar geometry to three O atoms. In each O3Br2 ribbon, there are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two Br atoms. There are one shorter (1.66 Å) and one longer (2.49 Å) O–Br bond lengths. In the second O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.64 Å. In the third O site, O is bonded in a bent 120 degrees geometry to two Br atoms. There is one shorter (1.85 Å) and one longer (1.94 Å) O–Br bond length. There are two inequivalent Br sites. In the first Br site, Br is bonded in a 2-coordinate geometry to two O atoms. In the second Br site, Br is bonded in a trigonal non-coplanar geometry to three O atoms.