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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Al10V by Materials Project

Al10V is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. V is bonded to twelve Al atoms to form VAl12 cuboctahedra that share corners with six equivalent VAl12 cuboctahedra and edges with six equivalent AlAl12 cuboctahedra. There are six shorter (2.56 Å) and six longer (2.84 Å) V–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to twelve equivalent Al atoms to form AlAl12 cuboctahedra that share edges with six equivalent VAl12 cuboctahedra and edges with six equivalent AlAl12 cuboctahedra. All Al–Al bond lengths are 3.07 Å. In the second Al site, Al is bonded in a 11-coordinate geometry to one V and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–2.96 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent V and ten Al atoms. All Al–Al bond lengths are 2.87 Å.

36 MATERIALS SCIENCE↗
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 Eu(Al10V)2 by Materials Project

Al20V2Eu crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Eu is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.15 Å) and twelve longer (3.22 Å) Eu–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 AlEuAl10V cuboctahedra, and faces with six equivalent AlEuAl10V cuboctahedra. There are six shorter (2.58 Å) and six longer (2.81 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 Eu and twelve equivalent Al atoms. All Al–Al bond lengths are 3.11 Å. In the second Al site, Al is bonded to one Eu, one V, and ten Al atoms to form distorted AlEuAl10V cuboctahedra that share corners with fifteen equivalent AlEuAl10V cuboctahedra, edges with two equivalent AlEuAl10V cuboctahedra, edges with three equivalent VAl12 cuboctahedra, a faceface with one VAl12 cuboctahedra, and faces with fifteen equivalent AlEuAl10V cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.70–2.93 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent V and ten Al atoms. All Al–Al bond lengths are 2.86 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(Al10V)2 by Materials Project

LaV2Al20 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.16 Å) and twelve longer (3.25 Å) La–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 AlLaAl10V cuboctahedra, and faces with six equivalent AlLaAl10V cuboctahedra. There are six shorter (2.59 Å) and six longer (2.81 Å) V–Al bond lengths. There are three inequivalent Al sites. In the first 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 2.73–2.86 Å. In the second Al site, Al is bonded in a linear geometry to two equivalent La and twelve equivalent Al atoms. All Al–Al bond lengths are 3.13 Å. In the third Al site, Al is bonded to one La, one V, and ten Al atoms to form distorted AlLaAl10V cuboctahedra that share corners with fifteen equivalent AlLaAl10V cuboctahedra, edges with two equivalent AlLaAl10V cuboctahedra, edges with three equivalent VAl12 cuboctahedra, a faceface with one VAl12 cuboctahedra, and faces with fifteen equivalent AlLaAl10V cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.73–2.92 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th(Al10V)2 by Materials Project

ThV2Al20 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.15 Å) and twelve longer (3.23 Å) Th–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 AlThAl10V cuboctahedra, and faces with six equivalent AlThAl10V cuboctahedra. There are six shorter (2.58 Å) and six longer (2.81 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 Th and twelve equivalent Al atoms. All Al–Al bond lengths are 3.12 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 2.73–2.86 Å. In the third Al site, Al is bonded to one Th, one V, and ten Al atoms to form distorted AlThAl10V cuboctahedra that share corners with fifteen equivalent AlThAl10V cuboctahedra, edges with two equivalent AlThAl10V cuboctahedra, edges with three equivalent VAl12 cuboctahedra, a faceface with one VAl12 cuboctahedra, and faces with fifteen equivalent AlThAl10V cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.72–2.92 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(Al10V)2 by Materials Project

PrV2Al20 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.15 Å) and twelve longer (3.24 Å) Pr–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 AlPrAl10V cuboctahedra, and faces with six equivalent AlPrAl10V cuboctahedra. There are six shorter (2.58 Å) and six longer (2.79 Å) V–Al bond lengths. There are three inequivalent Al sites. In the first 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 2.71–2.84 Å. In the second Al site, Al is bonded in a linear geometry to two equivalent Pr and twelve equivalent Al atoms. All Al–Al bond lengths are 3.12 Å. In the third Al site, Al is bonded to one Pr, one V, and ten Al atoms to form distorted AlPrAl10V cuboctahedra that share corners with fifteen equivalent AlPrAl10V cuboctahedra, edges with two equivalent AlPrAl10V cuboctahedra, edges with three equivalent VAl12 cuboctahedra, a faceface with one VAl12 cuboctahedra, and faces with fifteen equivalent AlPrAl10V cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.73–2.91 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(Al10V)2 by Materials Project

CeV2Al20 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.15 Å) and twelve longer (3.21 Å) Ce–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 AlCeAl10V cuboctahedra, and faces with six equivalent AlCeAl10V cuboctahedra. There are six shorter (2.58 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 12-coordinate geometry to two equivalent V and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.86 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Ce and twelve equivalent Al atoms. All Al–Al bond lengths are 3.10 Å. In the third Al site, Al is bonded to one Ce, one V, and ten Al atoms to form distorted AlCeAl10V cuboctahedra that share corners with fifteen equivalent AlCeAl10V cuboctahedra, edges with two equivalent AlCeAl10V cuboctahedra, edges with three equivalent VAl12 cuboctahedra, a faceface with one VAl12 cuboctahedra, and faces with fifteen equivalent AlCeAl10V cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.71–2.93 Å.

36 MATERIALS SCIENCE↗