Materials Data on CdBrO by Materials Project

CdOBr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd is bonded in a 6-coordinate geometry to three equivalent O and three equivalent Br atoms. There are a spread of Cd–O bond distances ranging from 2.21–2.30 Å. There are two shorter (2.92 Å) and one longer (3.02 Å) Cd–Br bond lengths. O is bonded to three equivalent Cd and one Br atom to form a mixture of distorted corner and edge-sharing OCd3Br tetrahedra. The O–Br bond length is 2.51 Å. Br is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cd and one O atom.