Materials Data on ZrHBr by Materials Project
ZrHBr crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one ZrHBr sheet oriented in the (0, 0, 1) direction. Zr2+ is bonded in a 7-coordinate geometry to four equivalent H1- and three equivalent Br1- atoms. There are one shorter (2.07 Å) and three longer (2.18 Å) Zr–H bond lengths. All Zr–Br bond lengths are 2.76 Å. H1- is bonded to four equivalent Zr2+ atoms to form a mixture of corner and edge-sharing HZr4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Zr2+ atoms.
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