Materials Data on La3U2O10 by Materials Project
U2La3O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent U+5.50+ sites. In the first U+5.50+ site, U+5.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.12–2.43 Å. In the second U+5.50+ site, U+5.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.10–2.44 Å. There are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.54 Å. In the second La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.57 Å. In the third La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.57 Å. In the fourth La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.51 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to three U+5.50+ and one La3+ atom to form distorted OLaU3 tetrahedra that share corners with sixteen OLa3U tetrahedra and edges with six OLaU3 tetrahedra. In the second O2- site, O2- is bonded to one U+5.50+ and three La3+ atoms to form distorted OLa3U tetrahedra that share corners with sixteen OLaU3 tetrahedra and edges with six OLa3U tetrahedra. In the third O2- site, O2- is bonded to two U+5.50+ and two La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2U2 tetrahedra. In the fourth O2- site, O2- is bonded to one U+5.50+ and three La3+ atoms to form a mixture of distorted edge and corner-sharing OLa3U tetrahedra. In the fifth O2- site, O2- is bonded to two U+5.50+ and two La3+ atoms to form distorted OLa2U2 tetrahedra that share corners with sixteen OLaU3 tetrahedra and edges with six OLa2U2 tetrahedra. In the sixth O2- site, O2- is bonded to one U+5.50+ and three La3+ atoms to form a mixture of distorted edge and corner-sharing OLa3U tetrahedra. In the seventh O2- site, O2- is bonded to three U+5.50+ and one La3+ atom to form a mixture of distorted edge and corner-sharing OLaU3 tetrahedra. In the eighth O2- site, O2- is bonded to one U+5.50+ and three La3+ atoms to form a mixture of distorted edge and corner-sharing OLa3U tetrahedra. In the ninth O2- site, O2- is bonded to four La3+ atoms to form OLa4 tetrahedra that share corners with sixteen OLaU3 tetrahedra and edges with six OLa2U2 tetrahedra. In the tenth O2- site, O2- is bonded to two equivalent U+5.50+ and two La3+ atoms to form OLa2U2 tetrahedra that share corners with sixteen OLaU3 tetrahedra and edges with six OLa3U 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:
- 1282404
- Report Number(s):
- mp-673814
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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