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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La6UO12 by Materials Project

La6UO12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. U6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All U–O bond lengths are 2.11 Å. La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.84 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one U6+ and three equivalent La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3U2O10 by Materials Project

U2La3O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. 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 2.15–2.57 Å. There are two 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 2.43–2.53 Å. In the second La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.49 Å) and four longer (2.50 Å) La–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent U+5.50+ and two equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa2U2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent U+5.50+ and two La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2U2 tetrahedra. In the third 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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaUO4 by Materials Project

ULaO4 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All U–O bond lengths are 2.31 Å. La3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All La–O bond lengths are 2.47 Å. O2- is bonded to two equivalent U5+ and two equivalent La3+ atoms to form a mixture of corner and edge-sharing OLa2U2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2UO6 by Materials Project

La2UO6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U6+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.16 Å) and four longer (2.34 Å) U–O bond lengths. La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.52 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one U6+ and three equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa3U tetrahedra. In the second O2- site, O2- is bonded to two equivalent U6+ and two equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa2U2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2U3O11 by Materials Project

U3La2O11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent U+5.33+ sites. In the first U+5.33+ site, U+5.33+ is bonded in a 8-coordinate geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.18–2.64 Å. In the second U+5.33+ site, U+5.33+ is bonded in a body-centered cubic geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.25–2.80 Å. La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.54 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three U+5.33+, one La3+, and one O2- atom to form a mixture of distorted edge, face, and corner-sharing OLaU3O tetrahedra. The O–O bond length is 2.36 Å. In the second O2- site, O2- is bonded to four U+5.33+ and two equivalent O2- atoms to form a mixture of edge, face, and corner-sharing OU4O2 tetrahedra. Both O–O bond lengths are 2.50 Å. In the third O2- site, O2- is bonded to one U+5.33+ and three equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa3U tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to six U+5.33+ and eight O2- atoms.

36 MATERIALS SCIENCE↗