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Materials Data on CaHg3 by Materials Project

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Mendeley Data2024-01-31 更新2024-06-28 收录
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https://www.osti.gov/servlets/purl/1718571/
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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.
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2024-01-31
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