Materials Data on U2Mn3Si5 by Materials Project
U2Mn3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. U3+ is bonded in a 9-coordinate geometry to nine Si+2.40- atoms. There are a spread of U–Si bond distances ranging from 2.80–3.03 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six Si+2.40- atoms. There are a spread of Mn–Si bond distances ranging from 2.35–2.39 Å. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six Si+2.40- atoms. There are four shorter (2.35 Å) and two longer (2.66 Å) Mn–Si bond lengths. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent U3+, three Mn2+, and four Si+2.40- atoms. There are two shorter (2.48 Å) and two longer (2.70 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to three equivalent U3+, four Mn2+, and two equivalent Si+2.40- atoms. In the third Si+2.40- site, Si+2.40- is bonded in a 10-coordinate geometry to four equivalent U3+ and four equivalent Mn2+ atoms.
- 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:
- 1196976
- Report Number(s):
- mp-21531
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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