Materials Data on CdCBr3N by Materials Project
CdBr3CN crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of four hydrogen cyanide molecules and two CdBr3 ribbons oriented in the (0, 0, 1) direction. In each CdBr3 ribbon, Cd2+ is bonded to six Br1- atoms to form face-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.80–2.82 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms.
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