Materials Data on Cd13I28 by Materials Project
(CdI2)13(I)2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of thirteen CdI2 sheets oriented in the (0, 0, 1) direction and one I sheet oriented in the (0, 0, 1) direction. In each CdI2 sheet, Cd is bonded to six I atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three equivalent Cd atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Cd atoms. In the I sheet, I is bonded in a 3-coordinate geometry to three equivalent I atoms. All I–I bond lengths are 3.47 Å.
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