Materials Data on CdH12C4Br3N by Materials Project
CdBr3N(CH3)4 crystallizes in the hexagonal P6_1 space group. The structure is one-dimensional and consists of six tetramethylammonium molecules and one CdBr3 ribbon oriented in the (0, 0, 1) direction. In the 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 2.81–2.87 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms.
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