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(Hg)3C is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Hg framework. In the Hg framework, Hg+1.33+ is bonded in a 8-coordinate geometry to eight equivalent Hg+1.33+ atoms. All Hg–Hg bond lengths are 3.03 Å.
MgHg5 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg is bonded to twelve Hg atoms to form a mixture of corner and edge-sharing MgHg12 cuboctahedra. There are six shorter (3.24 Å) and six longer (3.35 Å) Mg–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 2-coordinate geometry to two equivalent Mg atoms. In the second Hg site, Hg is bonded in a distorted trigonal planar geometry to three equivalent Mg atoms.
SrHg3 is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Sr is bonded to twelve Hg atoms to form a mixture of face, edge, and corner-sharing SrHg12 cuboctahedra. There are a spread of Sr–Hg bond distances ranging from 3.38–3.53 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Sr atoms. In the second Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Sr atoms.
EuHg3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded to twelve Hg atoms to form a mixture of face and corner-sharing EuHg12 cuboctahedra. There are six shorter (3.35 Å) and six longer (3.44 Å) Eu–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted see-saw-like geometry to four equivalent Eu atoms. In the second Hg site, Hg is bonded in a distorted see-saw-like geometry to four equivalent Eu atoms.
MgHg2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Hg atoms. There are a spread of Mg–Hg bond distances ranging from 3.11–3.18 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Hg site, Hg is bonded in a 10-coordinate geometry to six equivalent Mg atoms.
(FeHg2O2F5)2O2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional and consists of two water molecules and one FeHg2O2F5 framework. In the FeHg2O2F5 framework, Fe is bonded to six F atoms to form FeF6 octahedra that share corners with two equivalent FeF6 octahedra and corners with eight equivalent HgO2F4 octahedra. The corner-sharing octahedra tilt angles range from 2–56°. There are a spread of Fe–F bond distances ranging from 1.93–1.99 Å. Hg is bonded to two O and four F atoms to form distorted HgO2F4 octahedra that share corners with two equivalent HgO2F4 octahedra, corners with four equivalent FeF6 octahedra, and edges with two equivalent HgO2F4 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. Both Hg–O bond lengths are 2.11 Å. All Hg–F bond lengths are 2.56 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Hg atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Hg atoms. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one Fe and two equivalent Hg atoms. In the second F site, F is bonded in a distorted single-bond geometry to one Fe and two equivalent Hg atoms. In the third F site, F is bonded in a linear geometry to two equivalent Fe atoms.
PrPdHg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Pd and six equivalent Hg atoms. There are four shorter (3.12 Å) and one longer (3.14 Å) Pr–Pd bond lengths. There are two shorter (3.32 Å) and four longer (3.41 Å) Pr–Hg bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Hg atoms. All Pd–Hg bond lengths are 2.88 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Hg atoms. All Pd–Hg bond lengths are 2.94 Å. Hg is bonded in a distorted q6 geometry to six equivalent Pr and four Pd atoms.
MgHg2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MgHg2 sheet oriented in the (0, 0, 1) direction. Mg is bonded in a 7-coordinate geometry to seven Hg atoms. There are a spread of Mg–Hg bond distances ranging from 2.93–3.15 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 3-coordinate geometry to three equivalent Mg atoms. In the second Hg site, Hg is bonded in a 9-coordinate geometry to four equivalent Mg atoms.
TaHg3F6 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Ta3+ is bonded to six equivalent F1- atoms to form TaF6 octahedra that share corners with twelve HgHg6F6 cuboctahedra and faces with two equivalent HgHg6F6 cuboctahedra. All Ta–F bond lengths are 1.93 Å. There are three inequivalent Hg1+ sites. In the first Hg1+ site, Hg1+ is bonded to six Hg1+ and six equivalent F1- atoms to form distorted HgHg6F6 cuboctahedra that share corners with six HgHg6F6 cuboctahedra, corners with six equivalent TaF6 octahedra, edges with six equivalent HgHg6F6 cuboctahedra, and faces with six HgHg6F6 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. All Hg–Hg bond lengths are 3.06 Å. All Hg–F bond lengths are 3.29 Å. In the second Hg1+ site, Hg1+ is bonded to six Hg1+ and six equivalent F1- atoms to form distorted HgHg6F6 cuboctahedra that share corners with six HgHg6F6 cuboctahedra, corners with six equivalent TaF6 octahedra, edges with six equivalent HgHg6F6 cuboctahedra, and faces with six HgHg6F6 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. All Hg–Hg bond lengths are 3.06 Å. All Hg–F bond lengths are 3.29 Å. In the third Hg1+ site, Hg1+ is bonded to six Hg1+ and six equivalent F1- atoms to form distorted HgHg6F6 cuboctahedra that share corners with six HgHg6F6 cuboctahedra, edges with six equivalent HgHg6F6 cuboctahedra, faces with six HgHg6F6 cuboctahedra, and faces with two equivalent TaF6 octahedra. All Hg–F bond lengths are 3.11 Å. F1- is bonded in a single-bond geometry to one Ta3+ and three Hg1+ atoms.
LaPdHg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Pd and six equivalent Hg atoms. There are four shorter (3.14 Å) and one longer (3.20 Å) La–Pd bond lengths. There are two shorter (3.36 Å) and four longer (3.46 Å) La–Hg bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Hg atoms. All Pd–Hg bond lengths are 2.86 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Hg atoms. All Pd–Hg bond lengths are 2.99 Å. Hg is bonded in a 10-coordinate geometry to six equivalent La and four Pd atoms.
GdHg3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded to twelve Hg atoms to form a mixture of face and corner-sharing GdHg12 cuboctahedra. There are a spread of Gd–Hg bond distances ranging from 3.20–3.37 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Gd atoms. In the second Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Gd atoms.
Hg6S4IBr3 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to two S2- and four Br1- atoms to form distorted HgS2Br4 octahedra that share corners with eight HgS2Br4 octahedra, corners with two equivalent HgS2IBr2 trigonal bipyramids, edges with four HgS2Br4 octahedra, edges with two equivalent HgS2IBr2 trigonal bipyramids, and faces with two equivalent HgS2Br4 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. There are one shorter (2.37 Å) and one longer (2.48 Å) Hg–S bond lengths. There are a spread of Hg–Br bond distances ranging from 3.30–3.47 Å. In the second Hg2+ site, Hg2+ is bonded to two S2- and four Br1- atoms to form distorted HgS2Br4 octahedra that share corners with eight HgS2Br4 octahedra, corners with two equivalent HgS2IBr2 trigonal bipyramids, edges with four HgS2Br4 octahedra, edges with two equivalent HgS2IBr2 trigonal bipyramids, and faces with two equivalent HgS2Br4 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. There are one shorter (2.37 Å) and one longer (2.48 Å) Hg–S bond lengths. There are a spread of Hg–Br bond distances ranging from 3.34–3.52 Å. In the third Hg2+ site, Hg2+ is bonded to two equivalent S2-, one I1-, and two equivalent Br1- atoms to form distorted HgS2IBr2 trigonal bipyramids that share corners with four HgS2Br4 octahedra, corners with five equivalent HgS2IBr2 trigonal bipyramids, and edges with four HgS2Br4 octahedra. The corner-sharing octahedra tilt angles range from 69–82°. Both Hg–S bond lengths are 2.61 Å. The Hg–I bond length is 2.85 Å. There are one shorter (3.06 Å) and one longer (3.52 Å) Hg–Br bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two Hg2+ atoms. In the second S2- site, S2- is bonded to four Hg2+ atoms to form SHg4 tetrahedra that share corners with two equivalent SHg4 tetrahedra and edges with four equivalent BrHg6 octahedra. I1- is bonded in a linear geometry to two equivalent Hg2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted body-centered cubic geometry to eight Hg2+ atoms. In the second Br1- site, Br1- is bonded to six Hg2+ atoms to form distorted BrHg6 octahedra that share corners with two equivalent BrHg6 octahedra, edges with two equivalent BrHg6 octahedra, and edges with four equivalent SHg4 tetrahedra. The corner-sharing octahedral tilt angles are 27°.
KHg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to fourteen Hg atoms. There are eight shorter (3.47 Å) and six longer (4.00 Å) K–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent K atoms to form HgK4 tetrahedra that share corners with twelve equivalent HgK6 octahedra, corners with sixteen equivalent HgK4 tetrahedra, edges with six equivalent HgK4 tetrahedra, and faces with four equivalent HgK6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Hg site, Hg is bonded to six equivalent K atoms to form distorted HgK6 octahedra that share corners with six equivalent HgK6 octahedra, corners with twenty-four equivalent HgK4 tetrahedra, edges with twelve equivalent HgK6 octahedra, and faces with eight equivalent HgK4 tetrahedra. The corner-sharing octahedral tilt angles are 0°.
SrHg3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded to twelve Hg atoms to form a mixture of face and corner-sharing SrHg12 cuboctahedra. There are a spread of Sr–Hg bond distances ranging from 3.41–3.58 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Sr atoms. In the second Hg site, Hg is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sr atoms.
MgHg2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MgHg2 sheets oriented in the (1, 0, 0) direction. Mg is bonded in a 8-coordinate geometry to eight Hg atoms. There are a spread of Mg–Hg bond distances ranging from 2.99–3.16 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Mg atoms.
CaHg3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded to twelve Hg atoms to form a mixture of face and corner-sharing CaHg12 cuboctahedra. There are a spread of Ca–Hg bond distances ranging from 3.26–3.42 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Ca atoms. In the second Hg site, Hg is bonded in a distorted see-saw-like geometry to four equivalent Ca atoms.
SrHg3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded to twelve Hg atoms to form a mixture of corner and face-sharing SrHg12 cuboctahedra. There are a spread of Sr–Hg bond distances ranging from 3.43–3.52 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted see-saw-like geometry to four equivalent Sr atoms. In the second Hg site, Hg is bonded in a distorted see-saw-like geometry to four equivalent Sr atoms.
Ag3Hg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Ag sites. In the first Ag site, Ag is bonded to eight Ag and four equivalent Hg atoms to form AgAg8Hg4 cuboctahedra that share corners with four equivalent HgAg12 cuboctahedra, corners with fourteen AgAg8Hg4 cuboctahedra, edges with six equivalent HgAg12 cuboctahedra, edges with twelve AgAg8Hg4 cuboctahedra, faces with four equivalent HgAg12 cuboctahedra, and faces with sixteen AgAg8Hg4 cuboctahedra. There are six shorter (2.97 Å) and two longer (3.05 Å) Ag–Ag bond lengths. There are two shorter (2.99 Å) and two longer (3.01 Å) Ag–Hg bond lengths. In the second Ag site, Ag is bonded to eight Ag and four equivalent Hg atoms to form AgAg8Hg4 cuboctahedra that share corners with four equivalent HgAg12 cuboctahedra, corners with fourteen AgAg8Hg4 cuboctahedra, edges with six equivalent HgAg12 cuboctahedra, edges with twelve AgAg8Hg4 cuboctahedra, faces with four equivalent HgAg12 cuboctahedra, and faces with sixteen AgAg8Hg4 cuboctahedra. Both Ag–Ag bond lengths are 2.97 Å. There are two shorter (2.99 Å) and two longer (3.01 Å) Ag–Hg bond lengths. In the third Ag site, Ag is bonded to eight Ag and four equivalent Hg atoms to form AgAg8Hg4 cuboctahedra that share corners with four equivalent HgAg12 cuboctahedra, corners with fourteen AgAg8Hg4 cuboctahedra, edges with six equivalent HgAg12 cuboctahedra, edges with twelve AgAg8Hg4 cuboctahedra, faces with four equivalent HgAg12 cuboctahedra, and faces with sixteen AgAg8Hg4 cuboctahedra. There are four shorter (2.97 Å) and two longer (3.05 Å) Ag–Ag bond lengths. There are two shorter (2.99 Å) and two longer (3.01 Å) Ag–Hg bond lengths. Hg is bonded to twelve Ag atoms to form HgAg12 cuboctahedra that share corners with six equivalent HgAg12 cuboctahedra, corners with twelve AgAg8Hg4 cuboctahedra, edges with eighteen AgAg8Hg4 cuboctahedra, faces with eight equivalent HgAg12 cuboctahedra, and faces with twelve AgAg8Hg4 cuboctahedra.