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CsHg2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve equivalent Hg atoms. There are a spread of Cs–Hg bond distances ranging from 3.90–4.22 Å. Hg is bonded in a 10-coordinate geometry to six equivalent Cs and four equivalent Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.20–3.41 Å.
Ta2Hg2F11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ta+3.50+ sites. In the first Ta+3.50+ site, Ta+3.50+ is bonded to six F1- atoms to form corner-sharing TaF6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are a spread of Ta–F bond distances ranging from 1.88–2.09 Å. In the second Ta+3.50+ site, Ta+3.50+ is bonded to six F1- atoms to form corner-sharing TaF6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are a spread of Ta–F bond distances ranging from 1.87–2.11 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 5-coordinate geometry to one Hg2+ and three F1- atoms. The Hg–Hg bond length is 2.74 Å. There are a spread of Hg–F bond distances ranging from 2.81–2.96 Å. In the second Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to two Hg2+ and two F1- atoms. The Hg–Hg bond length is 2.68 Å. Both Hg–F bond lengths are 3.08 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ta+3.50+ and one Hg2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ta+3.50+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ta+3.50+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ta+3.50+ and one Hg2+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Ta+3.50+ and one Hg2+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Ta+3.50+ and one Hg2+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Ta+3.50+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Ta+3.50+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Ta+3.50+ and one Hg2+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Ta+3.50+ atom. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Ta+3.50+ atoms.
Hg3TlAs2Cl3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to two equivalent As2- and four Cl1- atoms. Both Hg–As bond lengths are 2.59 Å. There are a spread of Hg–Cl bond distances ranging from 2.82–3.52 Å. In the second Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to two equivalent As2- and two Cl1- atoms. Both Hg–As bond lengths are 2.59 Å. Both Hg–Cl bond lengths are 2.84 Å. In the third Hg2+ site, Hg2+ is bonded to two equivalent As2- and four Cl1- atoms to form HgAs2Cl4 octahedra that share corners with four equivalent HgAs2Cl4 octahedra, corners with two equivalent AsHg3As tetrahedra, and edges with four equivalent TlCl6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. Both Hg–As bond lengths are 2.58 Å. There are two shorter (3.21 Å) and two longer (3.22 Å) Hg–Cl bond lengths. Tl1+ is bonded to six Cl1- atoms to form distorted TlCl6 octahedra that share corners with six equivalent TlCl6 octahedra and edges with four equivalent HgAs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 20–26°. There are a spread of Tl–Cl bond distances ranging from 3.03–3.40 Å. As2- is bonded to three Hg2+ and one As2- atom to form AsHg3As tetrahedra that share a cornercorner with one HgAs2Cl4 octahedra and corners with three equivalent AsHg3As tetrahedra. The corner-sharing octahedral tilt angles are 73°. The As–As bond length is 2.44 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three Hg2+ and two equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three Hg2+ and two equivalent Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Hg2+ and two equivalent Tl1+ atoms.
Hg(H2O)6(ClO4)2 crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of two ClO4 clusters and one Hg(H2O)6 cluster. In each ClO4 cluster, there are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In the Hg(H2O)6 cluster, Hg is bonded in an octahedral geometry to six equivalent O atoms. All Hg–O bond lengths are 2.40 Å. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. O is bonded in a distorted water-like geometry to one Hg and two equivalent H atoms.
Hg3In2Te6 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one HgTe2 sheet oriented in the (0, 0, 1) direction and one In4(HgTe2)5 sheet oriented in the (0, 0, 1) direction. In the HgTe2 sheet, Hg2+ is bonded to four Te2- atoms to form corner-sharing HgTe4 tetrahedra. There are a spread of Hg–Te bond distances ranging from 2.73–2.89 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three equivalent Hg2+ atoms. In the second Te2- site, Te2- is bonded in a single-bond geometry to one Hg2+ atom. In the In4(HgTe2)5 sheet, there are five inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four Te2- atoms to form corner-sharing HgTe4 tetrahedra. There are a spread of Hg–Te bond distances ranging from 2.80–3.14 Å. In the second Hg2+ site, Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with three equivalent InTe4 tetrahedra and corners with nine HgTe4 tetrahedra. There are a spread of Hg–Te bond distances ranging from 2.79–3.16 Å. In the third Hg2+ site, Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with three equivalent InTe4 tetrahedra and corners with nine HgTe4 tetrahedra. There are one shorter (2.80 Å) and three longer (2.91 Å) Hg–Te bond lengths. In the fourth Hg2+ site, Hg2+ is bonded to four Te2- atoms to form corner-sharing HgTe4 tetrahedra. There are a spread of Hg–Te bond distances ranging from 2.81–2.92 Å. In the fifth Hg2+ site, Hg2+ is bonded to four Te2- atoms to form corner-sharing HgTe4 tetrahedra. There are a spread of Hg–Te bond distances ranging from 2.71–2.95 Å. There are four inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Te2- atoms to form InTe4 tetrahedra that share corners with three equivalent HgTe4 tetrahedra and corners with nine InTe4 tetrahedra. There are a spread of In–Te bond distances ranging from 2.88–2.93 Å. In the second In3+ site, In3+ is bonded to four Te2- atoms to form corner-sharing InTe4 tetrahedra. There are a spread of In–Te bond distances ranging from 2.97–3.04 Å. In the third In3+ site, In3+ is bonded to four Te2- atoms to form distorted corner-sharing InTe4 tetrahedra. There are a spread of In–Te bond distances ranging from 2.99–3.44 Å. In the fourth In3+ site, In3+ is bonded to four Te2- atoms to form InTe4 tetrahedra that share corners with three equivalent HgTe4 tetrahedra and corners with nine InTe4 tetrahedra. There are a spread of In–Te bond distances ranging from 2.85–2.93 Å. There are ten inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a single-bond geometry to one Hg2+ atom. In the second Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three equivalent Hg2+ atoms. In the third Te2- site, Te2- is bonded to four Hg2+ atoms to form corner-sharing TeHg4 tetrahedra. In the fourth Te2- site, Te2- is bonded to one Hg2+ and three equivalent In3+ atoms to form corner-sharing TeIn3Hg tetrahedra. In the fifth Te2- site, Te2- is bonded to four In3+ atoms to form distorted corner-sharing TeIn4 tetrahedra. In the sixth Te2- site, Te2- is bonded to four In3+ atoms to form corner-sharing TeIn4 tetrahedra. In the seventh Te2- site, Te2- is bonded to four In3+ atoms to form corner-sharing TeIn4 tetrahedra. In the eighth Te2- site, Te2- is bonded to three equivalent Hg2+ and one In3+ atom to form corner-sharing TeInHg3 tetrahedra. In the ninth Te2- site, Te2- is bonded to four Hg2+ atoms to form corner-sharing TeHg4 tetrahedra. In the tenth Te2- site, Te2- is bonded to four Hg2+ atoms to form corner-sharing TeHg4 tetrahedra.
AuHg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au is bonded to twelve equivalent Hg atoms to form AuHg12 cuboctahedra that share corners with twelve equivalent AuHg12 cuboctahedra, edges with twenty-four equivalent HgHg8Au4 cuboctahedra, faces with six equivalent AuHg12 cuboctahedra, and faces with twelve equivalent HgHg8Au4 cuboctahedra. All Au–Hg bond lengths are 3.19 Å. Hg is bonded to four equivalent Au and eight equivalent Hg atoms to form distorted HgHg8Au4 cuboctahedra that share corners with twelve equivalent HgHg8Au4 cuboctahedra, edges with eight equivalent AuHg12 cuboctahedra, edges with sixteen equivalent HgHg8Au4 cuboctahedra, faces with four equivalent AuHg12 cuboctahedra, and faces with fourteen equivalent HgHg8Au4 cuboctahedra. All Hg–Hg bond lengths are 3.19 Å.
(Hg)2AsHg is alpha Niobium phosphide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two AsHg sheets oriented in the (0, 0, 1) direction and two Hg sheets oriented in the (0, 0, 1) direction. In each AsHg sheet, Hg1+ is bonded in a square co-planar geometry to four equivalent As3- atoms. All Hg–As bond lengths are 2.98 Å. As3- is bonded in a square co-planar geometry to four equivalent Hg1+ atoms. In each Hg sheet, Hg1+ is bonded in a square co-planar geometry to four equivalent Hg1+ atoms. All Hg–Hg bond lengths are 2.98 Å.
AuHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two AuHg3 sheets oriented in the (0, 0, 1) direction. Au is bonded in a hexagonal planar geometry to six equivalent Hg atoms. All Au–Hg bond lengths are 2.97 Å. Hg is bonded in a distorted hexagonal planar geometry to two equivalent Au and four equivalent Hg atoms. There are two shorter (2.96 Å) and two longer (2.99 Å) Hg–Hg bond lengths.
PdHg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Hg atoms to form PdHg12 cuboctahedra that share corners with twelve equivalent PdHg12 cuboctahedra, edges with twenty-four equivalent HgHg8Pd4 cuboctahedra, faces with six equivalent PdHg12 cuboctahedra, and faces with twelve equivalent HgHg8Pd4 cuboctahedra. All Pd–Hg bond lengths are 3.09 Å. Hg is bonded to four equivalent Pd and eight equivalent Hg atoms to form HgHg8Pd4 cuboctahedra that share corners with twelve equivalent HgHg8Pd4 cuboctahedra, edges with eight equivalent PdHg12 cuboctahedra, edges with sixteen equivalent HgHg8Pd4 cuboctahedra, faces with four equivalent PdHg12 cuboctahedra, and faces with fourteen equivalent HgHg8Pd4 cuboctahedra. All Hg–Hg bond lengths are 3.09 Å.
(Hg)2HgSb is alpha Niobium phosphide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Hg sheets oriented in the (0, 0, 1) direction and two HgSb sheets oriented in the (0, 0, 1) direction. In each Hg sheet, Hg1+ is bonded in a square co-planar geometry to four equivalent Hg1+ atoms. All Hg–Hg bond lengths are 3.11 Å. In each HgSb sheet, Hg1+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Hg–Sb bond lengths are 3.11 Å. Sb3- is bonded in a square co-planar geometry to four equivalent Hg1+ atoms.
Hg3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hg is bonded to eight equivalent Hg and four equivalent Bi atoms to form distorted HgHg8Bi4 cuboctahedra that share corners with twelve equivalent HgHg8Bi4 cuboctahedra, edges with eight equivalent BiHg12 cuboctahedra, edges with sixteen equivalent HgHg8Bi4 cuboctahedra, faces with four equivalent BiHg12 cuboctahedra, and faces with fourteen equivalent HgHg8Bi4 cuboctahedra. All Hg–Hg bond lengths are 3.37 Å. All Hg–Bi bond lengths are 3.37 Å. Bi is bonded to twelve equivalent Hg atoms to form BiHg12 cuboctahedra that share corners with twelve equivalent BiHg12 cuboctahedra, edges with twenty-four equivalent HgHg8Bi4 cuboctahedra, faces with six equivalent BiHg12 cuboctahedra, and faces with twelve equivalent HgHg8Bi4 cuboctahedra.
RbHg2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to twelve equivalent Hg atoms. There are a spread of Rb–Hg bond distances ranging from 3.80–4.12 Å. Hg is bonded in a 10-coordinate geometry to six equivalent Rb and four equivalent Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.18–3.39 Å.
CoHg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co is bonded to twelve equivalent Hg atoms to form CoHg12 cuboctahedra that share corners with twelve equivalent CoHg12 cuboctahedra, edges with twenty-four equivalent HgCo4Hg8 cuboctahedra, faces with six equivalent CoHg12 cuboctahedra, and faces with twelve equivalent HgCo4Hg8 cuboctahedra. All Co–Hg bond lengths are 3.03 Å. Hg is bonded to four equivalent Co and eight equivalent Hg atoms to form HgCo4Hg8 cuboctahedra that share corners with twelve equivalent HgCo4Hg8 cuboctahedra, edges with eight equivalent CoHg12 cuboctahedra, edges with sixteen equivalent HgCo4Hg8 cuboctahedra, faces with four equivalent CoHg12 cuboctahedra, and faces with fourteen equivalent HgCo4Hg8 cuboctahedra. All Hg–Hg bond lengths are 3.03 Å.
Hg3Pb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hg is bonded in a 2-coordinate geometry to six equivalent Hg and four equivalent Pb atoms. There are four shorter (3.29 Å) and two longer (3.37 Å) Hg–Hg bond lengths. There are two shorter (3.35 Å) and two longer (3.46 Å) Hg–Pb bond lengths. Pb is bonded to twelve equivalent Hg atoms to form a mixture of corner and face-sharing PbHg12 cuboctahedra.
Hg4SbHO6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.27 Å) and one longer (2.30 Å) Hg–O bond lengths. In the second Hg2+ site, Hg2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.41 Å. In the third Hg2+ site, Hg2+ is bonded to one H1+ and four O2- atoms to form HgHO4 square pyramids that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–55°. The Hg–H bond length is 2.01 Å. There are a spread of Hg–O bond distances ranging from 2.12–2.36 Å. In the fourth Hg2+ site, Hg2+ is bonded in a distorted trigonal non-coplanar geometry to one H1+ and two O2- atoms. The Hg–H bond length is 1.67 Å. There are one shorter (2.10 Å) and one longer (2.35 Å) Hg–O bond lengths. Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent HgHO4 square pyramids. There are a spread of Sb–O bond distances ranging from 1.95–2.18 Å. H1+ is bonded in a bent 120 degrees geometry to two Hg2+ atoms. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hg2+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one Sb3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hg2+ and one Sb3+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Hg2+ and one Sb3+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Hg2+ and one Sb3+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one Sb3+ atom.
LaHg2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. La is bonded to twelve equivalent Hg atoms to form a mixture of distorted edge and face-sharing LaHg12 cuboctahedra. There are six shorter (3.42 Å) and six longer (3.49 Å) La–Hg bond lengths. Hg is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Hg atoms. All Hg–Hg bond lengths are 2.98 Å.
PtHg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pt is bonded to twelve equivalent Hg atoms to form PtHg12 cuboctahedra that share corners with twelve equivalent PtHg12 cuboctahedra, edges with twenty-four equivalent HgHg8Pt4 cuboctahedra, faces with six equivalent PtHg12 cuboctahedra, and faces with twelve equivalent HgHg8Pt4 cuboctahedra. All Pt–Hg bond lengths are 3.07 Å. Hg is bonded to four equivalent Pt and eight equivalent Hg atoms to form HgHg8Pt4 cuboctahedra that share corners with twelve equivalent HgHg8Pt4 cuboctahedra, edges with eight equivalent PtHg12 cuboctahedra, edges with sixteen equivalent HgHg8Pt4 cuboctahedra, faces with four equivalent PtHg12 cuboctahedra, and faces with fourteen equivalent HgHg8Pt4 cuboctahedra. All Hg–Hg bond lengths are 3.07 Å.
HgCd3 is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Hg is bonded to six equivalent Hg and six equivalent Cd atoms to form HgCd6Hg6 cuboctahedra that share corners with six equivalent HgCd6Hg6 cuboctahedra, corners with twelve equivalent CdCd12 cuboctahedra, edges with six equivalent HgCd6Hg6 cuboctahedra, edges with twelve equivalent CdCd9Hg3 cuboctahedra, faces with six equivalent HgCd6Hg6 cuboctahedra, and faces with fourteen CdCd12 cuboctahedra. All Hg–Hg bond lengths are 3.14 Å. All Hg–Cd bond lengths are 3.39 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to twelve Cd atoms to form CdCd12 cuboctahedra that share corners with six equivalent CdCd12 cuboctahedra, corners with twelve equivalent HgCd6Hg6 cuboctahedra, edges with eighteen CdCd12 cuboctahedra, faces with two equivalent HgCd6Hg6 cuboctahedra, and faces with eighteen CdCd12 cuboctahedra. There are six shorter (3.14 Å) and six longer (3.29 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to three equivalent Hg and nine Cd atoms to form CdCd9Hg3 cuboctahedra that share corners with eighteen equivalent CdCd9Hg3 cuboctahedra, edges with six equivalent HgCd6Hg6 cuboctahedra, edges with twelve CdCd12 cuboctahedra, faces with six equivalent HgCd6Hg6 cuboctahedra, and faces with fourteen CdCd12 cuboctahedra. All Cd–Cd bond lengths are 3.14 Å.