Materials Data on U6O11 by Materials Project
U6O11 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent U+3.67+ sites. In the first U+3.67+ site, U+3.67+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.32–2.45 Å. In the second U+3.67+ site, U+3.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.31–2.36 Å. In the third U+3.67+ site, U+3.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are two shorter (2.32 Å) and five longer (2.33 Å) U–O bond lengths. In the fourth U+3.67+ site, U+3.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.31–2.37 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four U+3.67+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the second O2- site, O2- is bonded to four U+3.67+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four U+3.67+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to four U+3.67+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fifth O2- site, O2- is bonded to four U+3.67+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the sixth O2- site, O2- is bonded to four U+3.67+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the seventh O2- site, O2- is bonded to four U+3.67+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra.
- 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:
- 1291765
- Report Number(s):
- mp-761153
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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