Materials Data on Ca2Hg by Materials Project
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.
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