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CaIn2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve equivalent In atoms. There are six shorter (3.27 Å) and six longer (3.69 Å) Ca–In bond lengths. In is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent In atoms. There are three shorter (2.96 Å) and one longer (3.15 Å) In–In bond lengths.
CaIn2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded in a distorted hexagonal planar geometry to six equivalent In atoms. All Ca–In bond lengths are 3.18 Å. In is bonded in a 7-coordinate geometry to three equivalent Ca and four equivalent In atoms. There are one shorter (3.07 Å) and three longer (3.27 Å) In–In bond lengths.