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CoCl4Cl2 crystallizes in the orthorhombic Cmmm space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules and two CoCl4 clusters. In each CoCl4 cluster, Co is bonded in a square co-planar geometry to four equivalent Cl atoms. All Co–Cl bond lengths are 2.13 Å. Cl is bonded in a single-bond geometry to one Co atom.
TlCoCl3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six equivalent Cl1- atoms to form CoCl6 octahedra that share corners with six equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with two equivalent CoCl6 octahedra. There are three shorter (2.42 Å) and three longer (2.43 Å) Co–Cl bond lengths. In the second Co2+ site, Co2+ is bonded to six equivalent Cl1- atoms to form CoCl6 octahedra that share corners with six equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with two equivalent CoCl6 octahedra. There are three shorter (2.42 Å) and three longer (2.43 Å) Co–Cl bond lengths. Tl1+ is bonded to twelve Cl1- atoms to form distorted TlCl12 cuboctahedra that share corners with six equivalent TlCl12 cuboctahedra, corners with six CoCl6 octahedra, faces with eight equivalent TlCl12 cuboctahedra, and faces with six CoCl6 octahedra. The corner-sharing octahedra tilt angles range from 14–19°. There are a spread of Tl–Cl bond distances ranging from 3.45–3.82 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Co2+ and four equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Co2+ and four equivalent Tl1+ atoms.
Li2CoCl4 crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six Cl1- atoms to form LiCl6 octahedra that share corners with two equivalent LiCl6 octahedra, corners with four equivalent CoCl6 octahedra, edges with two equivalent CoCl6 octahedra, and edges with six LiCl6 octahedra. The corner-sharing octahedra tilt angles range from 4–9°. There is two shorter (1.99 Å) and four longer (2.00 Å) Li–Cl bond length. In the second Li1+ site, Li1+ is bonded to six Cl1- atoms to form LiCl6 octahedra that share corners with two equivalent LiCl6 octahedra, edges with four equivalent CoCl6 octahedra, and edges with six LiCl6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two shorter (1.97 Å) and four longer (2.10 Å) Li–Cl bond lengths. Co2+ is bonded to six Cl1- atoms to form CoCl6 octahedra that share corners with four equivalent LiCl6 octahedra, edges with two equivalent CoCl6 octahedra, and edges with six LiCl6 octahedra. The corner-sharing octahedra tilt angles range from 4–9°. There are four shorter (2.08 Å) and two longer (2.13 Å) Co–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four Li1+ and one Co2+ atom to form a mixture of edge and corner-sharing ClLi4Co square pyramids. In the second Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to two Li1+ and two equivalent Co2+ atoms.
Li2CoCl4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent CoCl6 octahedra, edges with two equivalent CoCl6 octahedra, and edges with six LiCl6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are two shorter (2.55 Å) and four longer (2.68 Å) Li–Cl bond lengths. In the second Li1+ site, Li1+ is bonded to six Cl1- atoms to form LiCl6 octahedra that share edges with four equivalent CoCl6 octahedra and edges with six LiCl6 octahedra. There are two shorter (2.49 Å) and four longer (2.55 Å) Li–Cl bond lengths. Co2+ is bonded to six Cl1- atoms to form CoCl6 octahedra that share corners with six equivalent LiCl6 octahedra, edges with two equivalent CoCl6 octahedra, and edges with six LiCl6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are two shorter (2.37 Å) and four longer (2.53 Å) Co–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a rectangular see-saw-like geometry to three Li1+ and one Co2+ atom. In the second Cl1- site, Cl1- is bonded to three Li1+ and two equivalent Co2+ atoms to form a mixture of corner and edge-sharing ClLi3Co2 square pyramids.
RbCoCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with six equivalent RbCl12 cuboctahedra, corners with six equivalent CoCl6 octahedra, faces with eight equivalent RbCl12 cuboctahedra, and faces with six equivalent CoCl6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are six shorter (3.58 Å) and six longer (3.68 Å) Rb–Cl bond lengths. Co2+ is bonded to six equivalent Cl1- atoms to form CoCl6 octahedra that share corners with six equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with two equivalent CoCl6 octahedra. All Co–Cl bond lengths are 2.43 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Co2+ atoms.
CsCoCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with six equivalent CsCl12 cuboctahedra, corners with six equivalent CoCl6 octahedra, faces with eight equivalent CsCl12 cuboctahedra, and faces with six equivalent CoCl6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are six shorter (3.68 Å) and six longer (3.77 Å) Cs–Cl bond lengths. Co2+ is bonded to six equivalent Cl1- atoms to form CoCl6 octahedra that share corners with six equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with two equivalent CoCl6 octahedra. All Co–Cl bond lengths are 2.44 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Co2+ atoms.
TlCoCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co2+ is bonded to six equivalent Cl1- atoms to form CoCl6 octahedra that share corners with six equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with two equivalent CoCl6 octahedra. All Co–Cl bond lengths are 2.42 Å. Tl1+ is bonded to twelve equivalent Cl1- atoms to form TlCl12 cuboctahedra that share corners with six equivalent TlCl12 cuboctahedra, corners with six equivalent CoCl6 octahedra, faces with eight equivalent TlCl12 cuboctahedra, and faces with six equivalent CoCl6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are six shorter (3.50 Å) and six longer (3.61 Å) Tl–Cl bond lengths. Cl1- is bonded in a 6-coordinate geometry to two equivalent Co2+ and four equivalent Tl1+ atoms.
TlCoCl3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Co2+ is bonded to six Cl1- atoms to form CoCl6 octahedra that share corners with six equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with two equivalent CoCl6 octahedra. There are a spread of Co–Cl bond distances ranging from 2.41–2.44 Å. Tl1+ is bonded to twelve Cl1- atoms to form distorted TlCl12 cuboctahedra that share corners with six equivalent TlCl12 cuboctahedra, corners with six equivalent CoCl6 octahedra, faces with eight equivalent TlCl12 cuboctahedra, and faces with six equivalent CoCl6 octahedra. The corner-sharing octahedra tilt angles range from 13–20°. There are a spread of Tl–Cl bond distances ranging from 3.41–3.87 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Co2+ and four equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Co2+ and four equivalent Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Co2+ and four equivalent Tl1+ atoms.
Li2CoCl4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li1+ is bonded to six Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent LiCl6 octahedra, edges with four equivalent LiCl6 octahedra, and edges with four equivalent CoCl6 octahedra. The corner-sharing octahedra tilt angles range from 6–7°. There are four shorter (2.57 Å) and two longer (2.58 Å) Li–Cl bond lengths. Co2+ is bonded to six Cl1- atoms to form CoCl6 octahedra that share edges with two equivalent CoCl6 octahedra and edges with eight equivalent LiCl6 octahedra. There are two shorter (2.44 Å) and four longer (2.46 Å) Co–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Co2+ atoms. In the second Cl1- site, Cl1- is bonded to four equivalent Li1+ and one Co2+ atom to form a mixture of edge and corner-sharing ClLi4Co square pyramids.
CoAl2Cl8 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two CoAl2Cl8 ribbons oriented in the (0, 0, 1) direction. Co2+ is bonded to six Cl1- atoms to form CoCl6 octahedra that share corners with two equivalent AlCl4 tetrahedra and edges with two equivalent AlCl4 tetrahedra. There are two shorter (2.46 Å) and four longer (2.48 Å) Co–Cl bond lengths. Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share a cornercorner with one CoCl6 octahedra and an edgeedge with one CoCl6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are one shorter (2.10 Å) and three longer (2.19 Å) Al–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to one Co2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Co2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Co2+ and one Al3+ atom.
CoAl2Cl8 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two CoAl2Cl8 ribbons oriented in the (0, 0, 1) direction. Co2+ is bonded to six Cl1- atoms to form CoCl6 octahedra that share corners with two equivalent AlCl4 tetrahedra and edges with two equivalent AlCl4 tetrahedra. There are a spread of Co–Cl bond distances ranging from 2.45–2.48 Å. Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share a cornercorner with one CoCl6 octahedra and an edgeedge with one CoCl6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are one shorter (2.10 Å) and three longer (2.19 Å) Al–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to one Co2+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to one Co2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Co2+ and one Al3+ atom.
Co(WCl5)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Co(WCl5)2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent W4+ sites. In the first W4+ site, W4+ is bonded to six Cl1- atoms to form WCl6 octahedra that share an edgeedge with one WCl6 octahedra and edges with two equivalent CoCl6 octahedra. There are four shorter (2.38 Å) and two longer (2.45 Å) W–Cl bond lengths. In the second W4+ site, W4+ is bonded to six Cl1- atoms to form WCl6 octahedra that share an edgeedge with one WCl6 octahedra and an edgeedge with one CoCl6 octahedra. There are a spread of W–Cl bond distances ranging from 2.31–2.47 Å. Co2+ is bonded to six Cl1- atoms to form CoCl6 octahedra that share edges with three WCl6 octahedra. There are a spread of Co–Cl bond distances ranging from 2.41–2.48 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two W4+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to one W4+ and one Co2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W4+ atom. In the fourth Cl1- site, Cl1- is bonded in a water-like geometry to one W4+ and one Co2+ atom. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to one W4+ and one Co2+ atom.
Li6CoCl8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent LiCl6 octahedra, edges with two equivalent CoCl6 octahedra, and edges with eight equivalent LiCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are two shorter (2.57 Å) and four longer (2.58 Å) Li–Cl bond lengths. Co2+ is bonded to six equivalent Cl1- atoms to form CoCl6 octahedra that share edges with twelve equivalent LiCl6 octahedra. All Co–Cl bond lengths are 2.44 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to six equivalent Li1+ atoms to form ClLi6 octahedra that share corners with six equivalent ClLi6 octahedra and edges with twelve equivalent ClLi4Co square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second Cl1- site, Cl1- is bonded to four equivalent Li1+ and one Co2+ atom to form ClLi4Co square pyramids that share corners with nine equivalent ClLi4Co square pyramids, edges with four equivalent ClLi6 octahedra, and edges with four equivalent ClLi4Co square pyramids.
Co(W3Cl7)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W2+ is bonded to five Cl1- atoms to form WCl5 square pyramids that share a cornercorner with one CoCl6 octahedra and edges with four equivalent WCl5 square pyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of W–Cl bond distances ranging from 2.49–2.52 Å. Co2+ is bonded to six equivalent Cl1- atoms to form CoCl6 octahedra that share corners with six equivalent WCl5 square pyramids. All Co–Cl bond lengths are 2.49 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent W2+ atoms. In the second Cl1- site, Cl1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to one W2+ and one Co2+ atom.
CoCl2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three CoCl2 sheets oriented in the (0, 0, 1) direction. Co2+ is bonded to six equivalent Cl1- atoms to form edge-sharing CoCl6 octahedra. All Co–Cl bond lengths are 2.43 Å. Cl1- is bonded in a distorted T-shaped geometry to three equivalent Co2+ atoms.
Ba2CoCl6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Ba–Cl bond distances ranging from 3.17–3.56 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Ba–Cl bond distances ranging from 3.14–3.63 Å. Co2+ is bonded to six Cl1- atoms to form edge-sharing CoCl6 octahedra. There are a spread of Co–Cl bond distances ranging from 2.34–2.55 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three Ba2+ and one Co2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Ba2+ and one Co2+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Ba2+ and one Co2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Ba2+ and one Co2+ atom. In the fifth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two Ba2+ and two equivalent Co2+ atoms. In the sixth Cl1- site, Cl1- is bonded to four Ba2+ atoms to form a mixture of distorted edge and corner-sharing ClBa4 tetrahedra.
KCoCl3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve equivalent Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.16–3.79 Å. Co2+ is bonded to six equivalent Cl1- atoms to form corner-sharing CoCl6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are three shorter (2.46 Å) and three longer (2.47 Å) Co–Cl bond lengths. Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and two equivalent Co2+ atoms.
CoCl2 is trigonal omega structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one CoCl2 sheet oriented in the (0, 0, 1) direction. Co2+ is bonded to six equivalent Cl1- atoms to form edge-sharing CoCl6 octahedra. There are two shorter (2.40 Å) and four longer (2.46 Å) Co–Cl bond lengths. Cl1- is bonded in a distorted T-shaped geometry to three equivalent Co2+ atoms.