Materials Data on CdBiClO2 by Materials Project
CdBiO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one CdBiO2Cl sheet oriented in the (1, 0, 0) direction. Cd2+ is bonded in a 5-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Cd–O bond distances ranging from 2.28–2.47 Å. The Cd–Cl bond length is 2.54 Å. Bi3+ is bonded in a 7-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Cd2+ and one Bi3+ atom to form a mixture of corner and edge-sharing OCd3Bi tetrahedra. In the second O2- site, O2- is bonded to one Cd2+ and three equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OCdBi3 tetrahedra. Cl1- is bonded in a distorted single-bond geometry to one Cd2+ atom.