Materials Data on ZrHCl by Materials Project
ZrHCl is Cotunnite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one ZrHCl sheet oriented in the (0, 0, 1) direction. Zr2+ is bonded in a 7-coordinate geometry to four equivalent H1- and three equivalent Cl1- atoms. There are one shorter (2.05 Å) and three longer (2.15 Å) Zr–H bond lengths. All Zr–Cl bond lengths are 2.62 Å. H1- is bonded to four equivalent Zr2+ atoms to form a mixture of edge and corner-sharing HZr4 tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Zr2+ atoms.
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