Materials Data on CdH9C3SBrCl2O by Materials Project

Abstract

(CH3)3CdBrCl2SO crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of twelve methane molecules; four sulfur monoxide molecules; and two CdBrCl2 ribbons oriented in the (1, 0, 0) direction. In each CdBrCl2 ribbon, Cd2+ is bonded to two equivalent Br1- and four Cl1- atoms to form face-sharing CdBr2Cl4 octahedra. There are one shorter (2.84 Å) and one longer (2.85 Å) Cd–Br bond lengths. There are a spread of Cd–Cl bond distances ranging from 2.66–2.70 Å. Br1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms.