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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.
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.
ZrCl3 is Bismuth triodide structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three ZrCl3 sheets 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.
ZrCl3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one ZrCl3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Zr3+ sites. In the first Zr3+ site, Zr3+ is bonded to six Cl1- atoms to form distorted edge-sharing ZrCl6 pentagonal pyramids. There are a spread of Zr–Cl bond distances ranging from 2.54–2.59 Å. In the second Zr3+ site, Zr3+ is bonded to six Cl1- atoms to form distorted edge-sharing ZrCl6 pentagonal pyramids. There are a spread of Zr–Cl bond distances ranging from 2.54–2.59 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Zr3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Zr3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Zr3+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Zr3+ atoms. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Zr3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Zr3+ atoms.
ZrCl3 is Bismuth triodide structured and crystallizes in the triclinic P-1 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 Cl1- atoms to form edge-sharing ZrCl6 octahedra. There are a spread of Zr–Cl bond distances ranging from 2.51–2.71 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Zr3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Zr3+ atoms. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Zr3+ atoms.