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Materials Data on YAu3 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/1729035/
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Au3Y is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Y3+ is bonded to twelve Au1- atoms to form a mixture of corner, edge, and face-sharing YAu12 cuboctahedra. There are a spread of Y–Au bond distances ranging from 3.03–3.11 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 12-coordinate geometry to four equivalent Y3+ atoms. In the second Au1- site, Au1- is bonded in a distorted see-saw-like geometry to four equivalent Y3+ atoms.
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2024-01-31
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