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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaU3Al8 by Materials Project

U3LaAl8 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded in a 1-coordinate geometry to four U and twelve Al atoms. There are one shorter (2.51 Å) and three longer (3.51 Å) U–U bond lengths. There are a spread of U–Al bond distances ranging from 3.06–3.43 Å. In the second U site, U is bonded in a 10-coordinate geometry to three equivalent U, one La, and twelve Al atoms. The U–La bond length is 3.28 Å. There are a spread of U–Al bond distances ranging from 3.14–3.25 Å. In the third U site, U is bonded in a 1-coordinate geometry to one U, three equivalent La, and twelve Al atoms. All U–La bond lengths are 3.60 Å. There are a spread of U–Al bond distances ranging from 3.04–3.67 Å. La is bonded in a 12-coordinate geometry to four U and twelve Al atoms. There are a spread of La–Al bond distances ranging from 3.24–3.29 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded to four U, two equivalent La, and six Al atoms to form a mixture of distorted edge, face, and corner-sharing AlLa2U4Al6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.69–2.80 Å. In the second Al site, Al is bonded to five U, one La, and six Al atoms to form a mixture of edge, face, and corner-sharing AlLaU5Al6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.69–2.79 Å. In the third Al site, Al is bonded to three equivalent U, three equivalent La, and six Al atoms to form AlLa3U3Al6 cuboctahedra that share corners with eighteen AlLa2U4Al6 cuboctahedra, edges with six equivalent AlLa3U3Al6 cuboctahedra, and faces with eighteen AlLa2U4Al6 cuboctahedra. In the fourth Al site, Al is bonded to six U and six Al atoms to form AlU6Al6 cuboctahedra that share corners with eighteen AlLa2U4Al6 cuboctahedra, edges with six equivalent AlU6Al6 cuboctahedra, and faces with eighteen AlLa2U4Al6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3UAl8 by Materials Project

ULa3Al8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to four La and twelve Al atoms. There are one shorter (3.45 Å) and three longer (3.47 Å) U–La bond lengths. There are a spread of U–Al bond distances ranging from 3.30–3.33 Å. There are three inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to four La and twelve Al atoms. There are three shorter (3.50 Å) and one longer (3.54 Å) La–La bond lengths. There are a spread of La–Al bond distances ranging from 3.33–3.38 Å. In the second La site, La is bonded in a 12-coordinate geometry to one U, three equivalent La, and twelve Al atoms. There are a spread of La–Al bond distances ranging from 3.33–3.43 Å. In the third La site, La is bonded in a 12-coordinate geometry to three equivalent U, one La, and twelve Al atoms. There are a spread of La–Al bond distances ranging from 3.28–3.34 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded to two equivalent U, four La, and six Al atoms to form a mixture of edge, face, and corner-sharing AlLa4U2Al6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.81–2.89 Å. In the second Al site, Al is bonded to one U, five La, and six Al atoms to form a mixture of edge, face, and corner-sharing AlLa5UAl6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.81–2.87 Å. In the third Al site, Al is bonded to three equivalent U, three equivalent La, and six Al atoms to form AlLa3U3Al6 cuboctahedra that share corners with eighteen AlLa4U2Al6 cuboctahedra, edges with six equivalent AlLa3U3Al6 cuboctahedra, and faces with eighteen AlLa4U2Al6 cuboctahedra. In the fourth Al site, Al is bonded to six La and six Al atoms to form AlLa6Al6 cuboctahedra that share corners with eighteen AlLa4U2Al6 cuboctahedra, edges with six equivalent AlLa6Al6 cuboctahedra, and faces with eighteen AlLa4U2Al6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaUAl4 by Materials Project

ULaAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to four equivalent La and twelve equivalent Al atoms. All U–La bond lengths are 3.45 Å. All U–Al bond lengths are 3.30 Å. La is bonded in a 12-coordinate geometry to four equivalent U and twelve equivalent Al atoms. All La–Al bond lengths are 3.30 Å. Al is bonded to three equivalent U, three equivalent La, and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlLa3U3Al6 cuboctahedra. There are three shorter (2.80 Å) and three longer (2.83 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗