Materials Data on Y9U5O28 by Materials Project
U5Y9O28 is alpha bismuth trifluoride-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent U+5.80+ sites. In the first U+5.80+ site, U+5.80+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.14–2.35 Å. In the second U+5.80+ site, U+5.80+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.16–2.34 Å. In the third U+5.80+ site, U+5.80+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.16–2.39 Å. There are five inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.39 Å. In the second Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.39 Å. In the third Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.39 Å. In the fourth Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.42 Å. In the fifth Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.33–2.40 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded to one U+5.80+ and three Y3+ atoms to form OY3U tetrahedra that share corners with sixteen OY2U2 tetrahedra and edges with six OY3U tetrahedra. In the second O2- site, O2- is bonded to two equivalent U+5.80+ and two Y3+ atoms to form a mixture of edge and corner-sharing OY2U2 tetrahedra. In the third O2- site, O2- is bonded to one U+5.80+ and three Y3+ atoms to form OY3U tetrahedra that share corners with sixteen OY3U tetrahedra and edges with six OY2U2 tetrahedra. In the fourth O2- site, O2- is bonded to one U+5.80+ and three Y3+ atoms to form a mixture of edge and corner-sharing OY3U tetrahedra. In the fifth O2- site, O2- is bonded to two U+5.80+ and two Y3+ atoms to form OY2U2 tetrahedra that share corners with sixteen OY3U tetrahedra and edges with six OY2U2 tetrahedra. In the sixth O2- site, O2- is bonded to one U+5.80+ and three Y3+ atoms to form a mixture of edge and corner-sharing OY3U tetrahedra. In the seventh O2- site, O2- is bonded to two U+5.80+ and two Y3+ atoms to form a mixture of edge and corner-sharing OY2U2 tetrahedra. In the eighth O2- site, O2- is bonded to one U+5.80+ and three Y3+ atoms to form a mixture of edge and corner-sharing OY3U tetrahedra. In the ninth O2- site, O2- is bonded to one U+5.80+ and three Y3+ atoms to form OY3U tetrahedra that share corners with sixteen OY3U tetrahedra and edges with six OY2U2 tetrahedra. In the tenth O2- site, O2- is bonded to two U+5.80+ and two equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY2U2 tetrahedra. In the eleventh O2- site, O2- is bonded to one U+5.80+ and three Y3+ atoms to form OY3U tetrahedra that share corners with sixteen OY2U2 tetrahedra and edges with six OY3U tetrahedra. In the twelfth O2- site, O2- is bonded to one U+5.80+ and three Y3+ atoms to form a mixture of edge and corner-sharing OY3U tetrahedra. In the thirteenth O2- site, O2- is bonded to two equivalent U+5.80+ and two Y3+ atoms to form OY2U2 tetrahedra that share corners with sixteen OY3U tetrahedra and edges with six OY2U2 tetrahedra. In the fourteenth O2- site, O2- is bonded to two U+5.80+ and two Y3+ atoms to form OY2U2 tetrahedra that share corners with sixteen OY3U tetrahedra and edges with six OY2U2 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:
- 1292578
- Report Number(s):
- mp-762369
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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