Materials Data on ZrNCl by Materials Project

Kristin Persson
ZrNCl crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two ZrNCl sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- and three equivalent Cl1- atoms. All Zr–N bond lengths are 2.10 Å. All Zr–Cl bond lengths are 2.78 Å. N3- is bonded in a trigonal non-coplanar geometry to three equivalent Zr4+ atoms. Cl1- is bonded in a...
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