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Materials Data on Si3Ru2 by Materials Project

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Mendeley Data2024-01-31 更新2024-06-29 收录
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Ru2Si3 crystallizes in the orthorhombic Pbcn space group. The structure is one-dimensional and consists of two Ru2Si3 ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a distorted rectangular see-saw-like geometry to four Si+1.33- atoms. All Ru–Si bond lengths are 2.56 Å. In the second Ru2+ site, Ru2+ is bonded in a distorted see-saw-like geometry to four Si+1.33- atoms. There are two shorter (2.33 Å) and two longer (2.42 Å) Ru–Si bond lengths. In the third Ru2+ site, Ru2+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are a spread of Ru–Si bond distances ranging from 2.39–2.51 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 4-coordinate geometry to four Ru2+ atoms. In the second Si+1.33- site, Si+1.33- is bonded in a 3-coordinate geometry to three Ru2+ atoms. In the third Si+1.33- site, Si+1.33- is bonded in a 4-coordinate geometry to two equivalent Ru2+ atoms.
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2024-01-31
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