Materials Data on U2Si3Ru by Materials Project
U2RuSi3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded to twelve equivalent Si4- atoms to form USi12 cuboctahedra that share edges with twelve equivalent USi8 hexagonal bipyramids, faces with two equivalent USi12 cuboctahedra, and faces with six equivalent USi8 hexagonal bipyramids. There are six shorter (2.98 Å) and six longer (3.02 Å) U–Si bond lengths. In the second U5+ site, U5+ is bonded to eight equivalent Si4- atoms to form USi8 hexagonal bipyramids that share corners with eight equivalent USi8 hexagonal bipyramids, edges with four equivalent USi12 cuboctahedra, edges with four equivalent USi8 hexagonal bipyramids, faces with two equivalent USi12 cuboctahedra, and faces with two equivalent USi8 hexagonal bipyramids. There are four shorter (3.02 Å) and four longer (3.07 Å) U–Si bond lengths. Ru2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ru–Si bond lengths are 2.41 Å. Si4- is bonded in a 1-coordinate geometry to six U5+, one Ru2+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.33 Å.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1716927
- Report Number(s):
- mp-1216891
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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