Materials Data on Y2CI2 by Materials Project
Y2CI2 is Calaverite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Y2CI2 sheet oriented in the (0, 0, 1) direction. Y3+ is bonded to three equivalent C4- and three equivalent I1- atoms to form a mixture of edge and corner-sharing YC3I3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–C bond lengths are 2.60 Å. All Y–I bond lengths are 3.12 Å. C4- is bonded to six equivalent Y3+ atoms to form edge-sharing CY6 octahedra. I1- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms.
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