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CdCl6 crystallizes in the orthorhombic Cmmm space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules and two CdCl4 clusters. In each CdCl4 cluster, Cd is bonded in a distorted rectangular see-saw-like geometry to four equivalent Cl atoms. All Cd–Cl bond lengths are 2.46 Å. Cl is bonded in a single-bond geometry to one Cd atom.
CsCdCl3 is (Cubic) Perovskite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve Cl1- atoms to form CsCl12 cuboctahedra that share corners with nine CsCl12 cuboctahedra, corners with three equivalent CdCl6 octahedra, faces with seven CsCl12 cuboctahedra, and faces with seven CdCl6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are a spread of Cs–Cl bond distances ranging from 3.78–3.94 Å. In the second Cs1+ site, Cs1+ is bonded to twelve Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight CdCl6 octahedra. There are six shorter (3.79 Å) and six longer (3.83 Å) Cs–Cl bond lengths. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form CdCl6 octahedra that share corners with three equivalent CsCl12 cuboctahedra, corners with three equivalent CdCl6 octahedra, faces with seven CsCl12 cuboctahedra, and a faceface with one CdCl6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three shorter (2.66 Å) and three longer (2.69 Å) Cd–Cl bond lengths. In the second Cd2+ site, Cd2+ is bonded to six equivalent Cl1- atoms to form CdCl6 octahedra that share corners with six equivalent CdCl6 octahedra and faces with eight CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. All Cd–Cl bond lengths are 2.66 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted linear geometry to four Cs1+ and two Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four Cs1+ and two equivalent Cd2+ atoms.
Hg(Hg6Cd(As2Cl3)2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two mercury molecules and one Hg6Cd(As2Cl3)2 framework. In the Hg6Cd(As2Cl3)2 framework, there are six inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to two As+2.25- and four Cl1- atoms to form distorted HgAs2Cl4 octahedra that share corners with eight HgAs2Cl4 octahedra, corners with two AsHg3As tetrahedra, edges with two CdCl6 octahedra, and edges with four HgAs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 18–89°. Both Hg–As bond lengths are 2.56 Å. There are a spread of Hg–Cl bond distances ranging from 3.03–3.41 Å. In the second Hg2+ site, Hg2+ is bonded to two As+2.25- and four Cl1- atoms to form distorted HgAs2Cl4 octahedra that share corners with eight HgAs2Cl4 octahedra, corners with two AsHg3As tetrahedra, edges with two CdCl6 octahedra, and edges with four HgAs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 18–89°. There are one shorter (2.56 Å) and one longer (2.57 Å) Hg–As bond lengths. There are a spread of Hg–Cl bond distances ranging from 3.02–3.40 Å. In the third Hg2+ site, Hg2+ is bonded to two As+2.25- and four Cl1- atoms to form distorted HgAs2Cl4 octahedra that share corners with eight HgAs2Cl4 octahedra, corners with two AsHg3As tetrahedra, edges with two equivalent CdCl6 octahedra, and edges with four HgAs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 18–89°. There are one shorter (2.56 Å) and one longer (2.57 Å) Hg–As bond lengths. There are a spread of Hg–Cl bond distances ranging from 3.02–3.41 Å. In the fourth Hg2+ site, Hg2+ is bonded to two As+2.25- and four Cl1- atoms to form distorted HgAs2Cl4 octahedra that share corners with eight HgAs2Cl4 octahedra, corners with two AsHg3As tetrahedra, edges with two equivalent CdCl6 octahedra, and edges with four HgAs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 18–89°. Both Hg–As bond lengths are 2.56 Å. There are a spread of Hg–Cl bond distances ranging from 3.02–3.41 Å. In the fifth Hg2+ site, Hg2+ is bonded to two As+2.25- and four Cl1- atoms to form distorted HgAs2Cl4 octahedra that share corners with eight HgAs2Cl4 octahedra, corners with two AsHg3As tetrahedra, edges with two CdCl6 octahedra, and edges with four HgAs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 18–89°. There are one shorter (2.56 Å) and one longer (2.57 Å) Hg–As bond lengths. There are a spread of Hg–Cl bond distances ranging from 3.03–3.40 Å. In the sixth Hg2+ site, Hg2+ is bonded to two As+2.25- and four Cl1- atoms to form distorted HgAs2Cl4 octahedra that share corners with eight HgAs2Cl4 octahedra, corners with two AsHg3As tetrahedra, edges with two CdCl6 octahedra, and edges with four HgAs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 18–89°. There are one shorter (2.56 Å) and one longer (2.57 Å) Hg–As bond lengths. There are a spread of Hg–Cl bond distances ranging from 3.02–3.41 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form CdCl6 octahedra that share edges with twelve HgAs2Cl4 octahedra. All Cd–Cl bond lengths are 2.70 Å. In the second Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form CdCl6 octahedra that share edges with twelve HgAs2Cl4 octahedra. There are two shorter (2.69 Å) and four longer (2.70 Å) Cd–Cl bond lengths. There are four inequivalent As+2.25- sites. In the first As+2.25- site, As+2.25- is bonded to three Hg2+ and one As+2.25- atom to form AsHg3As tetrahedra that share corners with three HgAs2Cl4 octahedra and corners with three AsHg3As tetrahedra. The corner-sharing octahedral tilt angles are 70°. The As–As bond length is 2.50 Å. In the second As+2.25- site, As+2.25- is bonded to three Hg2+ and one As+2.25- atom to form AsHg3As tetrahedra that share corners with three HgAs2Cl4 octahedra and corners with three AsHg3As tetrahedra. The corner-sharing octahedral tilt angles are 74°. The As–As bond length is 2.51 Å. In the third As+2.25- site, As+2.25- is bonded to three Hg2+ and one As+2.25- atom to form AsHg3As tetrahedra that share corners with three HgAs2Cl4 octahedra and corners with three AsHg3As tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the fourth As+2.25- site, As+2.25- is bonded to three Hg2+ and one As+2.25- atom to form AsHg3As tetrahedra that share corners with three HgAs2Cl4 octahedra and corners with three AsHg3As tetrahedra. The corner-sharing octahedral tilt angles are 70°. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Hg2+ and one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Hg2+ and one Cd2+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Hg2+ and one Cd2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Hg2+ and one Cd2+ atom. In the fifth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Hg2+ and one Cd2+ atom. In the sixth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Hg2+ and one Cd2+ atom.
CdAl2Cl8 crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of one CdAl2Cl8 sheet oriented in the (0, 1, 0) direction. Cd2+ is bonded to six Cl1- atoms to form CdCl6 octahedra that share corners with two AlCl4 tetrahedra and edges with two AlCl4 tetrahedra. There are a spread of Cd–Cl bond distances ranging from 2.65–2.75 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share a cornercorner with one CdCl6 octahedra and an edgeedge with one CdCl6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Al–Cl bond distances ranging from 2.10–2.20 Å. In the second Al3+ site, Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share a cornercorner with one CdCl6 octahedra and an edgeedge with one CdCl6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Al–Cl bond distances ranging from 2.10–2.20 Å. There are eight 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 Cd2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Cd2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cd2+ and one Al3+ atom. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cd2+ and one Al3+ atom. In the sixth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cd2+ and one Al3+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the eighth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Cd2+ and one Al3+ atom.
Cd(GaCl4)2 crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of one Cd(GaCl4)2 sheet oriented in the (0, 1, 0) direction. Cd2+ is bonded to six Cl1- atoms to form CdCl6 octahedra that share corners with two GaCl4 tetrahedra and edges with two GaCl4 tetrahedra. There are a spread of Cd–Cl bond distances ranging from 2.65–2.75 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four Cl1- atoms to form GaCl4 tetrahedra that share a cornercorner with one CdCl6 octahedra and an edgeedge with one CdCl6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Ga–Cl bond distances ranging from 2.14–2.26 Å. In the second Ga3+ site, Ga3+ is bonded to four Cl1- atoms to form GaCl4 tetrahedra that share a cornercorner with one CdCl6 octahedra and an edgeedge with one CdCl6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Ga–Cl bond distances ranging from 2.14–2.26 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cd2+ and one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the fourth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Cd2+ and one Ga3+ atom. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cd2+ and one Ga3+ atom. In the sixth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Cd2+ and one Ga3+ atom. In the seventh Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cd2+ and one Ga3+ atom. In the eighth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cd2+ and one Ga3+ atom.
Li2CdCl4 is Spinel-like structured and 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 four Cl1- atoms to form LiCl4 tetrahedra that share corners with six equivalent LiCl6 octahedra and corners with six equivalent CdCl6 octahedra. The corner-sharing octahedra tilt angles range from 53–62°. There are two shorter (2.41 Å) and two longer (2.45 Å) Li–Cl bond lengths. In the second Li1+ site, Li1+ is bonded to six Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent LiCl4 tetrahedra, edges with two equivalent LiCl6 octahedra, and edges with four equivalent CdCl6 octahedra. There are two shorter (2.58 Å) and four longer (2.62 Å) Li–Cl bond lengths. Cd2+ is bonded to six Cl1- atoms to form CdCl6 octahedra that share corners with six equivalent LiCl4 tetrahedra, edges with two equivalent CdCl6 octahedra, and edges with four equivalent LiCl6 octahedra. There are two shorter (2.61 Å) and four longer (2.69 Å) Cd–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 Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a rectangular see-saw-like geometry to two Li1+ and two equivalent Cd2+ atoms.
CsCdCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent CdCl6 octahedra. All Cs–Cl bond lengths are 3.77 Å. Cd2+ is bonded to six equivalent Cl1- atoms to form CdCl6 octahedra that share corners with six equivalent CdCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–Cl bond lengths are 2.66 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Cd2+ atoms.
CuCdH4(OCl2)2(H2O)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two water molecules and one CuCdH4(OCl2)2 sheet oriented in the (0, 1, 0) direction. In the CuCdH4(OCl2)2 sheet, Cu2+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form distorted CuCl4O2 octahedra that share corners with four equivalent CdCl6 octahedra and edges with two equivalent CuCl4O2 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. Both Cu–O bond lengths are 1.97 Å. There are two shorter (2.32 Å) and two longer (2.90 Å) Cu–Cl bond lengths. Cd2+ is bonded to six Cl1- atoms to form CdCl6 octahedra that share corners with four equivalent CuCl4O2 octahedra and edges with two equivalent CdCl6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Cd–Cl bond distances ranging from 2.64–2.70 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to one Cu2+ and two H1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Cu2+ and one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms.
Cd7P4Cl6 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six equivalent Cl1- atoms to form edge-sharing CdCl6 octahedra. All Cd–Cl bond lengths are 2.69 Å. In the second Cd2+ site, Cd2+ is bonded to two P2- and four equivalent Cl1- atoms to form distorted CdP2Cl4 octahedra that share corners with eight equivalent CdP2Cl4 octahedra, corners with two PCd3P tetrahedra, and edges with six CdCl6 octahedra. The corner-sharing octahedra tilt angles range from 14–87°. Both Cd–P bond lengths are 2.53 Å. There are a spread of Cd–Cl bond distances ranging from 2.80–3.34 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded to three equivalent Cd2+ and one P2- atom to form PCd3P tetrahedra that share corners with three equivalent CdP2Cl4 octahedra, corners with six equivalent ClCd5 square pyramids, corners with three equivalent PCd3P tetrahedra, and edges with three equivalent ClCd5 square pyramids. The corner-sharing octahedral tilt angles are 71°. The P–P bond length is 2.20 Å. In the second P2- site, P2- is bonded to three equivalent Cd2+ and one P2- atom to form PCd3P tetrahedra that share corners with three equivalent CdP2Cl4 octahedra, corners with six equivalent ClCd5 square pyramids, corners with three equivalent PCd3P tetrahedra, and edges with three equivalent ClCd5 square pyramids. The corner-sharing octahedral tilt angles are 73°. Cl1- is bonded to five Cd2+ atoms to form distorted ClCd5 square pyramids that share corners with nine equivalent ClCd5 square pyramids, corners with four PCd3P tetrahedra, edges with four equivalent ClCd5 square pyramids, and edges with two PCd3P tetrahedra.
Cd3PCl3 is Spinel-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a distorted rectangular see-saw-like geometry to one P3- and three equivalent Cl1- atoms. The Cd–P bond length is 2.49 Å. All Cd–Cl bond lengths are 2.65 Å. In the second Cd2+ site, Cd2+ is bonded to two equivalent P3- and four equivalent Cl1- atoms to form CdP2Cl4 octahedra that share corners with four equivalent CdCl6 octahedra and edges with four equivalent CdP2Cl4 octahedra. The corner-sharing octahedral tilt angles are 49°. Both Cd–P bond lengths are 2.48 Å. All Cd–Cl bond lengths are 3.16 Å. In the third Cd2+ site, Cd2+ is bonded to six equivalent Cl1- atoms to form corner-sharing CdCl6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cd–Cl bond lengths are 2.70 Å. P3- is bonded to four Cd2+ atoms to form corner-sharing PCd4 tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four Cd2+ atoms.
KCu7CdSe2O8Cl9 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. All K–Cl bond lengths are 3.18 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to three O2- and three Cl1- atoms to form distorted CuCl3O3 octahedra that share a cornercorner with one CuCl3O3 octahedra, corners with two equivalent CdCl6 octahedra, edges with three equivalent CuCl3O3 octahedra, and an edgeedge with one CuCl3O2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 27–53°. There are two shorter (1.92 Å) and one longer (2.19 Å) Cu–O bond lengths. There are one shorter (2.56 Å) and two longer (2.61 Å) Cu–Cl bond lengths. In the second Cu2+ site, Cu2+ is bonded to two equivalent O2- and three equivalent Cl1- atoms to form edge-sharing CuCl3O2 trigonal bipyramids. Both Cu–O bond lengths are 1.92 Å. All Cu–Cl bond lengths are 2.42 Å. Cd2+ is bonded to six equivalent Cl1- atoms to form CdCl6 octahedra that share corners with twelve equivalent CuCl3O3 octahedra. The corner-sharing octahedral tilt angles are 53°. All Cd–Cl bond lengths are 2.66 Å. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.74 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one Se4+ atom. In the second O2- site, O2- is bonded to four Cu2+ atoms to form corner-sharing OCu4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+, two equivalent Cu2+, and one Cd2+ atom.
(CdCl3)2Cd2Te6O13 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one CdCl3 ribbon oriented in the (1, 0, 0) direction and one Cd2Te6O13 sheet oriented in the (0, 0, 1) direction. In the CdCl3 ribbon, there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.60–2.80 Å. In the second Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.58–2.81 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cd2+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cd2+ atom. In the fourth Cl1- site, Cl1- is bonded in a water-like geometry to two Cd2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted water-like geometry to two Cd2+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Cd2+ atoms. In the Cd2Te6O13 sheet, there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.36–2.83 Å. In the second Cd2+ site, Cd2+ is bonded in a 8-coordinate geometry to seven O2- atoms. There are a spread of Cd–O bond distances ranging from 2.33–2.84 Å. There are six inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–1.97 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.23 Å. In the third Te4+ site, Te4+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.73 Å. In the fourth Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.19 Å. In the fifth Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.97–2.33 Å. In the sixth Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.20 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cd2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Cd2+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Cd2+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Cd2+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Cd2+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Cd2+ and three Te4+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Te4+ atom. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to two Te4+ atoms. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to one Cd2+ and three Te4+ atoms. In the thirteenth O2- site, O2- is bonded in a trigonal planar geometry to three Te4+ atoms.
SrCd2H14O7Cl6H2O crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two water molecules and one SrCd2H14O7Cl6 sheet oriented in the (0, -1, 1) direction. In the SrCd2H14O7Cl6 sheet, Sr2+ is bonded in a 7-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of Sr–O bond distances ranging from 2.60–2.80 Å. The Sr–Cl bond length is 3.17 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.60–2.79 Å. In the second Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.51–2.94 Å. There are fourteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 0.99 Å. The H–Cl bond length is 2.10 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Sr2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a water-like geometry to two H1+ atoms. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two Cd2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sr2+ and one Cd2+ atom. In the fifth Cl1- site, Cl1- is bonded in a water-like geometry to two Cd2+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one H1+ atom.
CaCd2(O2Cl3)2O2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two hydrogen peroxide molecules and one CaCd2(O2Cl3)2 framework. In the CaCd2(O2Cl3)2 framework, Ca is bonded in a 7-coordinate geometry to four O and three Cl atoms. There are a spread of Ca–O bond distances ranging from 2.61–2.77 Å. There are a spread of Ca–Cl bond distances ranging from 2.57–2.71 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six Cl atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.54–2.97 Å. In the second Cd site, Cd is bonded to six Cl atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.59–2.85 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one Ca and one O atom. The O–O bond length is 1.25 Å. In the second O site, O is bonded in an L-shaped geometry to one Ca and one O atom. The O–O bond length is 1.25 Å. In the third O site, O is bonded in a distorted L-shaped geometry to one Ca and one O atom. In the fourth O site, O is bonded in a 1-coordinate geometry to one Ca and one O atom. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted bent 120 degrees geometry to one Ca and one Cd atom. In the second Cl site, Cl is bonded in a distorted bent 150 degrees geometry to one Ca and one Cd atom. In the third Cl site, Cl is bonded in a distorted T-shaped geometry to three Cd atoms. In the fourth Cl site, Cl is bonded in a distorted trigonal non-coplanar geometry to three Cd atoms. In the fifth Cl site, Cl is bonded in a water-like geometry to two Cd atoms. In the sixth Cl site, Cl is bonded in a distorted trigonal planar geometry to one Ca and two Cd atoms.
Cd5Bi6(O2Cl3)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four Cl1- atoms. All Cd–O bond lengths are 2.33 Å. There are two shorter (3.10 Å) and two longer (3.17 Å) Cd–Cl bond lengths. In the second Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form a mixture of distorted edge and corner-sharing CdCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. There are a spread of Cd–Cl bond distances ranging from 2.57–2.99 Å. In the third Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form a mixture of edge and corner-sharing CdCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Cd–Cl bond distances ranging from 2.60–2.78 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and one Cl1- atom. There are two shorter (2.29 Å) and two longer (2.30 Å) Bi–O bond lengths. The Bi–Cl bond length is 3.08 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and two equivalent Cl1- atoms. All Bi–O bond lengths are 2.30 Å. Both Bi–Cl bond lengths are 3.13 Å. O2- is bonded to one Cd2+ and three Bi3+ atoms to form a mixture of edge and corner-sharing OCdBi3 tetrahedra. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a square co-planar geometry to four Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Cd2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Cd2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a T-shaped geometry to three Cd2+ atoms. In the sixth Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Cd2+ atoms.
Cd3C4N2H16Cl11((CH3)2NH2)2CNHCH3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four aziridinium molecules, eight dimethylazanium molecules, and four Cd3C4N2H16Cl11 clusters. In each Cd3C4N2H16Cl11 cluster, there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form face-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.54–2.78 Å. In the second Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form face-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.54–2.81 Å. There are two inequivalent C+1.60- sites. In the first C+1.60- site, C+1.60- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.49 Å. All C–H bond lengths are 1.10 Å. In the second C+1.60- site, C+1.60- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.49 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. N3- is bonded in a distorted tetrahedral geometry to two C+1.60- and two H1+ atoms. There is one shorter (1.03 Å) and one longer (1.05 Å) N–H bond length. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+1.60- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+1.60- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.60- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.60- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- and one Cl1- atom. The H–Cl bond length is 2.12 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+1.60- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.60- atom. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Cd2+ and one H1+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Cd2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Cd2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Cd2+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Cd2+ atom. In the seventh Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cd2+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Cd2+ atom.
KCd3H6O3Cl7H2O crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of two water molecules and one KCd3H6O3Cl7 sheet oriented in the (0, 0, 1) direction. In the KCd3H6O3Cl7 sheet, K1+ is bonded in a 8-coordinate geometry to three O2- and five Cl1- atoms. There are one shorter (2.80 Å) and two longer (2.93 Å) K–O bond lengths. There are a spread of K–Cl bond distances ranging from 3.12–3.61 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to one O2- and five Cl1- atoms to form a mixture of corner and edge-sharing CdCl5O octahedra. The corner-sharing octahedral tilt angles are 37°. The Cd–O bond length is 2.38 Å. There are a spread of Cd–Cl bond distances ranging from 2.61–2.72 Å. In the second Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are two shorter (2.60 Å) and four longer (2.71 Å) Cd–Cl bond lengths. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one K1+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one Cd2+, and two H1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one K1+ and two Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two equivalent Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one K1+ and two Cd2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Cd2+ atoms.
CdCl2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three CdCl2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent Cl1- atoms to form edge-sharing CdCl6 octahedra. All Cd–Cl bond lengths are 2.68 Å. Cl1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.