Materials Data on Pr(Al5Ru)2 by Materials Project
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https://www.osti.gov/servlets/purl/1750216/
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资源简介：
Pr(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Pr–Ru bond lengths are 3.49 Å. There are a spread of Pr–Al bond distances ranging from 3.19–3.67 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Pr and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.58–2.77 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Pr and two equivalent Ru atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to one Pr and two equivalent Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Pr and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to one Pr and two equivalent Ru atoms. In the fifth Al site, Al is bonded in a distorted linear geometry to two equivalent Pr and two equivalent Ru atoms.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-30
