Materials Data on U(Co5Si)2 by Materials Project
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https://www.osti.gov/servlets/purl/1754978/
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UCo10Si2 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to sixteen Co and four equivalent Si atoms. There are a spread of U–Co bond distances ranging from 2.82–3.08 Å. All U–Si bond lengths are 3.15 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to one U, seven Co, and two equivalent Si atoms. There are a spread of Co–Co bond distances ranging from 2.48–2.61 Å. Both Co–Si bond lengths are 2.46 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent U, eight Co, and two equivalent Si atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.66 Å. Both Co–Si bond lengths are 2.36 Å. In the third Co site, Co is bonded to two equivalent U and ten Co atoms to form CoU2Co10 cuboctahedra that share corners with four equivalent SiU2Co8Si2 cuboctahedra, corners with six equivalent CoU2Co10 cuboctahedra, edges with four equivalent SiU2Co8Si2 cuboctahedra, faces with two equivalent CoU2Co10 cuboctahedra, and faces with four equivalent SiU2Co8Si2 cuboctahedra. Both Co–Co bond lengths are 2.42 Å. Si is bonded to two equivalent U, eight Co, and two equivalent Si atoms to form distorted SiU2Co8Si2 cuboctahedra that share corners with four equivalent CoU2Co10 cuboctahedra, corners with six equivalent SiU2Co8Si2 cuboctahedra, edges with four equivalent CoU2Co10 cuboctahedra, faces with two equivalent SiU2Co8Si2 cuboctahedra, and faces with four equivalent CoU2Co10 cuboctahedra. Both Si–Si bond lengths are 2.42 Å.
提供机构:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间:
2020-12-31



