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ZrBr3 crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one ZrBr3 ribbon oriented in the (0, 0, 1) direction. Zr3+ is bonded to six equivalent Br1- atoms to form face-sharing ZrBr6 octahedra. All Zr–Br bond lengths are 2.72 Å. Br1- is bonded in a 2-coordinate geometry to two equivalent Zr3+ atoms.
ZrBr2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zr2+ is bonded to five Br1- atoms to form a mixture of distorted edge and corner-sharing ZrBr5 square pyramids. There are a spread of Zr–Br bond distances ranging from 2.67–3.20 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Zr2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Zr2+ atoms.
ZrBr crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six ZrBr sheets oriented in the (0, 0, 1) direction. Zr is bonded in a 3-coordinate geometry to three equivalent Br atoms. All Zr–Br bond lengths are 2.79 Å. Br is bonded in a 3-coordinate geometry to three equivalent Zr atoms.
ZrBr4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight zirconium tetrabromide molecules. Zr4+ is bonded in a tetrahedral geometry to four Br1- atoms. All Zr–Br bond lengths are 2.49 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Zr4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Zr4+ atom.
ZrBr crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two ZrBr sheets oriented in the (0, 0, 1) direction. Zr is bonded in a 3-coordinate geometry to three equivalent Br atoms. There are one shorter (2.79 Å) and two longer (2.80 Å) Zr–Br bond lengths. Br is bonded in a 3-coordinate geometry to three equivalent Zr atoms.
Zr3Br crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a distorted see-saw-like geometry to four equivalent Br atoms. There are two shorter (3.09 Å) and two longer (3.27 Å) Zr–Br bond lengths. Br is bonded to twelve equivalent Zr atoms to form a mixture of corner and face-sharing BrZr12 cuboctahedra.
ZrBr crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two ZrBr sheets oriented in the (0, 0, 1) direction. Zr is bonded in a 3-coordinate geometry to three equivalent Br atoms. All Zr–Br bond lengths are 2.79 Å. Br is bonded in a 3-coordinate geometry to three equivalent Zr atoms.