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CaHg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Ca–Hg bond lengths are 3.30 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
CaHg2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Hg atoms to form a mixture of edge and face-sharing CaHg12 cuboctahedra. All Ca–Hg bond lengths are 3.42 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Hg atoms. All Hg–Hg bond lengths are 2.90 Å.
Ca3Hg2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a square co-planar geometry to four equivalent Hg atoms. All Ca–Hg bond lengths are 3.33 Å. In the second Ca site, Ca is bonded to six equivalent Hg atoms to form a mixture of distorted edge, face, and corner-sharing CaHg6 pentagonal pyramids. There are two shorter (3.22 Å) and four longer (3.31 Å) Ca–Hg bond lengths. Hg is bonded in a 8-coordinate geometry to eight Ca atoms.
CaHg11 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve Hg atoms to form CaHg12 cuboctahedra that share corners with four equivalent HgHg12 cuboctahedra and corners with eight equivalent CaHg12 cuboctahedra. There are four shorter (3.72 Å) and eight longer (3.77 Å) Ca–Hg bond lengths. There are six inequivalent Hg sites. In the first Hg site, Hg is bonded to twelve Hg atoms to form HgHg12 cuboctahedra that share corners with twelve equivalent CaHg12 cuboctahedra. All Hg–Hg bond lengths are 3.35 Å. In the second Hg site, Hg is bonded in a 6-coordinate geometry to six Hg atoms. There are three shorter (3.05 Å) and three longer (3.09 Å) Hg–Hg bond lengths. In the third Hg site, Hg is bonded in a 10-coordinate geometry to two equivalent Ca and eight Hg atoms. There are two shorter (3.14 Å) and four longer (3.17 Å) Hg–Hg bond lengths. In the fourth Hg site, Hg is bonded in a 10-coordinate geometry to one Ca and nine Hg atoms. All Hg–Hg bond lengths are 3.35 Å. In the fifth Hg site, Hg is bonded in a 10-coordinate geometry to one Ca and nine Hg atoms. All Hg–Hg bond lengths are 3.35 Å. In the sixth Hg site, Hg is bonded in a 10-coordinate geometry to one Ca and nine Hg atoms. The Hg–Ca bond length is 3.72 Å. There are four shorter (3.17 Å) and two longer (3.35 Å) Hg–Hg bond lengths.
Ca5Hg3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted square co-planar geometry to six Hg atoms. There are four shorter (3.21 Å) and two longer (3.71 Å) Ca–Hg bond lengths. In the second Ca site, Ca is bonded to five Hg atoms to form a mixture of distorted edge, corner, and face-sharing CaHg5 trigonal bipyramids. There are a spread of Ca–Hg bond distances ranging from 3.21–3.44 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 10-coordinate geometry to ten Ca atoms. In the second Hg site, Hg is bonded in a 8-coordinate geometry to eight Ca atoms.
Ca3Hg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a distorted square co-planar geometry to four equivalent Hg atoms. All Ca–Hg bond lengths are 3.61 Å. Hg is bonded to twelve equivalent Ca atoms to form a mixture of face and corner-sharing HgCa12 cuboctahedra.
CaHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Hg atoms to form a mixture of face and corner-sharing CaHg12 cuboctahedra. There are six shorter (3.28 Å) and six longer (3.38 Å) Ca–Hg bond lengths. Hg is bonded in a distorted see-saw-like geometry to four equivalent Ca atoms.
CaHg2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CaHg2 sheet oriented in the (0, 0, 1) direction. Ca is bonded in a hexagonal planar geometry to six equivalent Hg atoms. All Ca–Hg bond lengths are 3.13 Å. Hg is bonded in a distorted trigonal planar geometry to three equivalent Ca atoms.
Ca2Hg is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent Hg atoms. There are a spread of Ca–Hg bond distances ranging from 3.30–3.69 Å. In the second Ca site, Ca is bonded to four equivalent Hg atoms to form a mixture of distorted edge and corner-sharing CaHg4 tetrahedra. There are a spread of Ca–Hg bond distances ranging from 3.20–3.24 Å. Hg is bonded in a 9-coordinate geometry to nine Ca atoms.