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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on U(Al10V)2 by Materials Project

UV2Al20 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.13 Å) and twelve longer (3.17 Å) U–Al bond lengths. V is bonded to twelve Al atoms to form VAl12 cuboctahedra that share corners with six equivalent VAl12 cuboctahedra, edges with eighteen equivalent AlUAl10V cuboctahedra, and faces with six equivalent AlUAl10V cuboctahedra. There are six shorter (2.56 Å) and six longer (2.82 Å) V–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent U and twelve equivalent Al atoms. All Al–Al bond lengths are 3.07 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent V and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.85 Å. In the third Al site, Al is bonded to one U, one V, and ten Al atoms to form distorted AlUAl10V cuboctahedra that share corners with fifteen equivalent AlUAl10V cuboctahedra, edges with two equivalent AlUAl10V cuboctahedra, edges with three equivalent VAl12 cuboctahedra, a faceface with one VAl12 cuboctahedra, and faces with fifteen equivalent AlUAl10V cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.67–2.93 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U6Al43V4 by Materials Project

U6V4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to one U, one V, and fifteen Al atoms. The U–U bond length is 3.18 Å. The U–V bond length is 3.58 Å. There are a spread of U–Al bond distances ranging from 3.04–3.50 Å. There are two inequivalent V sites. In the first V site, V is bonded to twelve Al atoms to form VAl12 cuboctahedra that share edges with six equivalent AlAl10V2 cuboctahedra. There are six shorter (2.65 Å) and six longer (2.83 Å) V–Al bond lengths. In the second V site, V is bonded in a distorted q6 geometry to two equivalent U and ten Al atoms. There are a spread of V–Al bond distances ranging from 2.57–2.68 Å. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent U and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–3.05 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, one V, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–3.02 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to two equivalent U, one V, and seven Al atoms. There are one shorter (2.72 Å) and two longer (2.80 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded to two equivalent V and ten Al atoms to form distorted AlAl10V2 cuboctahedra that share corners with four equivalent AlU3Al9 cuboctahedra, edges with two equivalent VAl12 cuboctahedra, and faces with two equivalent AlAl10V2 cuboctahedra. There are two shorter (2.76 Å) and four longer (2.88 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded to three equivalent U and nine Al atoms to form AlU3Al9 cuboctahedra that share corners with six AlAl10V2 cuboctahedra and faces with two equivalent AlU3Al9 cuboctahedra. In the sixth Al site, Al is bonded in a 12-coordinate geometry to one U, two V, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–3.00 Å. In the seventh Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, one V, and nine Al atoms. Both Al–Al bond lengths are 2.97 Å.

36 MATERIALS SCIENCE↗