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FeCl3 is Bismuth triodide structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three FeCl3 sheets oriented in the (0, 0, 1) direction. Fe3+ is bonded to six equivalent Cl1- atoms to form edge-sharing FeCl6 octahedra. All Fe–Cl bond lengths are 2.27 Å. Cl1- is bonded in a water-like geometry to two equivalent Fe3+ atoms.
FeCl2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three FeCl2 sheets oriented in the (0, 0, 1) direction. Fe2+ is bonded to six equivalent Cl1- atoms to form edge-sharing FeCl6 octahedra. All Fe–Cl bond lengths are 2.47 Å. Cl1- is bonded in a distorted T-shaped geometry to three equivalent Fe2+ atoms.
FeCl3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one FeCl3 ribbon oriented in the (1, 0, 0) direction. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to five Cl1- atoms to form corner-sharing FeCl5 trigonal bipyramids. There are a spread of Fe–Cl bond distances ranging from 2.13–2.30 Å. In the second Fe3+ site, Fe3+ is bonded in a distorted see-saw-like geometry to four Cl1- atoms. There are a spread of Fe–Cl bond distances ranging from 2.10–2.21 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Fe3+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Fe3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Fe3+ atoms.
FeCl3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two FeCl3 ribbons oriented in the (1, 0, 0) direction. Fe3+ is bonded to four Cl1- atoms to form corner-sharing FeCl4 tetrahedra. There are a spread of Fe–Cl bond distances ranging from 2.14–2.36 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Fe3+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom.
FeCl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All Fe–Cl bond lengths are 2.69 Å. Cl is bonded in a body-centered cubic geometry to eight equivalent Fe atoms.
FeCl4 crystallizes in the orthorhombic Imma space group. The structure is one-dimensional and consists of two FeCl4 ribbons oriented in the (1, 0, 0) direction. Fe is bonded to six Cl atoms to form edge-sharing FeCl6 octahedra. There are two shorter (2.17 Å) and four longer (2.31 Å) Fe–Cl bond lengths. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Fe atom. In the second Cl site, Cl is bonded in an L-shaped geometry to two equivalent Fe atoms.