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ZrCl3 crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one ZrCl3 ribbon oriented in the (0, 0, 1) direction. Zr3+ is bonded to six equivalent Cl1- atoms to form face-sharing ZrCl6 octahedra. All Zr–Cl bond lengths are 2.57 Å. Cl1- is bonded in a 2-coordinate geometry to two equivalent Zr3+ atoms.
ZrCl2 is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three ZrCl2 sheets oriented in the (0, 0, 1) direction. Zr2+ is bonded to six equivalent Cl1- atoms to form distorted edge-sharing ZrCl6 pentagonal pyramids. All Zr–Cl bond lengths are 2.62 Å. Cl1- is bonded in a 3-coordinate geometry to three equivalent Zr2+ atoms.
ZrCl crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two ZrCl sheets oriented in the (0, 0, 1) direction. Zr is bonded in a 3-coordinate geometry to three equivalent Cl atoms. All Zr–Cl bond lengths are 2.65 Å. Cl is bonded in a 3-coordinate geometry to three equivalent Zr atoms.
ZrCl4 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of one ZrCl4 ribbon oriented in the (1, 0, 0) direction. Zr4+ is bonded to six Cl1- atoms to form distorted edge-sharing ZrCl6 octahedra. There are a spread of Zr–Cl bond distances ranging from 2.34–2.71 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Zr4+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Zr4+ atoms.
ZrCl3 is Bismuth triodide-like structured and crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one ZrCl3 sheet oriented in the (0, 0, 1) direction. Zr3+ is bonded to six equivalent Cl1- atoms to form edge-sharing ZrCl6 octahedra. All Zr–Cl bond lengths are 2.57 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Zr3+ atoms.
ZrCl2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zr2+ is bonded to five Cl1- atoms to form a mixture of edge and corner-sharing ZrCl5 square pyramids. There are a spread of Zr–Cl bond distances ranging from 2.53–2.90 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Zr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Zr2+ atoms.
ZrCl crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two ZrCl sheets oriented in the (0, 0, 1) direction. Zr is bonded in a 3-coordinate geometry to three equivalent Cl atoms. All Zr–Cl bond lengths are 2.65 Å. Cl is bonded in a 3-coordinate geometry to three equivalent Zr atoms.
Zr3Cl 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 Cl atoms. There are two shorter (3.05 Å) and two longer (3.25 Å) Zr–Cl bond lengths. Cl is bonded to twelve equivalent Zr atoms to form a mixture of corner and face-sharing ClZr12 cuboctahedra.