Materials Data on P4Ru by Materials Project
收藏DataCite Commons2021-02-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1758525/
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资源简介：
RuP4 is Hausmannite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ru4+ is bonded to six P1- atoms to form RuP6 octahedra that share corners with four equivalent RuP6 octahedra and corners with fourteen PP2Ru2 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Ru–P bond distances ranging from 2.38–2.44 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded to two equivalent Ru4+ and two equivalent P1- atoms to form PP2Ru2 tetrahedra that share corners with two equivalent RuP6 octahedra and corners with fourteen PP2Ru2 tetrahedra. The corner-sharing octahedra tilt angles range from 63–71°. There are one shorter (2.19 Å) and one longer (2.20 Å) P–P bond lengths. In the second P1- site, P1- is bonded to one Ru4+ and three P1- atoms to form PP3Ru tetrahedra that share corners with five equivalent RuP6 octahedra and corners with nine PP2Ru2 tetrahedra. The corner-sharing octahedra tilt angles range from 47–80°. The P–P bond length is 2.32 Å.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2021-01-15
