Materials Data on CaI2 by Materials Project
CaI2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CaI2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to six equivalent I1- atoms to form edge-sharing CaI6 octahedra. All Ca–I bond lengths are 3.16 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Ca2+ atoms.
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