Materials Data on CaHClO by Materials Project
CaClOH crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two CaClOH sheets oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 3-coordinate geometry to three equivalent O2- and three equivalent Cl1- atoms. All Ca–O bond lengths are 2.35 Å. All Ca–Cl bond lengths are 2.89 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Ca2+ and one H1+ atom. Cl1- is bonded in a 4-coordinate geometry to three equivalent Ca2+ atoms.
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