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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TbAl by Materials Project

TbAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Tb–Al bond distances ranging from 3.08–3.40 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Tb–Al bond distances ranging from 3.08–3.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Tb and four Al atoms to form a mixture of distorted corner, edge, and face-sharing AlTb8Al4 cuboctahedra. There are two shorter (2.74 Å) and two longer (2.82 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Tb and two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Al by Materials Project

Tb3Al is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to eight equivalent Tb and four equivalent Al atoms to form distorted TbTb8Al4 cuboctahedra that share corners with twelve equivalent TbTb8Al4 cuboctahedra, edges with eight equivalent AlTb12 cuboctahedra, edges with sixteen equivalent TbTb8Al4 cuboctahedra, faces with four equivalent AlTb12 cuboctahedra, and faces with fourteen equivalent TbTb8Al4 cuboctahedra. All Tb–Tb bond lengths are 3.38 Å. All Tb–Al bond lengths are 3.38 Å. Al is bonded to twelve equivalent Tb atoms to form AlTb12 cuboctahedra that share corners with twelve equivalent AlTb12 cuboctahedra, edges with twenty-four equivalent TbTb8Al4 cuboctahedra, faces with six equivalent AlTb12 cuboctahedra, and faces with twelve equivalent TbTb8Al4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbAl3 by Materials Project

TbAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to twelve Al atoms to form a mixture of distorted corner and face-sharing TbAl12 cuboctahedra. There are a spread of Tb–Al bond distances ranging from 3.03–3.11 Å. In the second Tb site, Tb is bonded to twelve Al atoms to form a mixture of corner and face-sharing TbAl12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.10 Å) Tb–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four Tb and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.89 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four Tb and eight Al atoms. All Al–Al bond lengths are 3.10 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbAl2 by Materials Project

TbAl2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve equivalent Al atoms. All Tb–Al bond lengths are 3.27 Å. Al is bonded to six equivalent Tb and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlTb6Al6 cuboctahedra. All Al–Al bond lengths are 2.79 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbAl3 by Materials Project

TbAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Al atoms to form a mixture of distorted corner and face-sharing TbAl12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.16 Å) Tb–Al bond lengths. Al is bonded in a 10-coordinate geometry to four equivalent Tb and six equivalent Al atoms. There are two shorter (2.76 Å) and four longer (2.81 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Al2 by Materials Project

Tb3Al2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are four shorter (3.11 Å) and two longer (3.14 Å) Tb–Al bond lengths. In the second Tb site, Tb is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Tb–Al bond lengths are 3.32 Å. In the third Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.09 Å) and four longer (3.24 Å) Tb–Al bond lengths. Al is bonded in a 10-coordinate geometry to eight Tb and two equivalent Al atoms. There are one shorter (2.78 Å) and one longer (2.92 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbAl by Materials Project

TbAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Tb–Al bond lengths are 3.13 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbAl3 by Materials Project

TbAl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Al atoms to form TbAl12 cuboctahedra that share corners with twelve equivalent TbAl12 cuboctahedra, edges with twenty-four equivalent AlTb4Al8 cuboctahedra, faces with six equivalent TbAl12 cuboctahedra, and faces with twelve equivalent AlTb4Al8 cuboctahedra. All Tb–Al bond lengths are 3.02 Å. Al is bonded to four equivalent Tb and eight equivalent Al atoms to form distorted AlTb4Al8 cuboctahedra that share corners with twelve equivalent AlTb4Al8 cuboctahedra, edges with eight equivalent TbAl12 cuboctahedra, edges with sixteen equivalent AlTb4Al8 cuboctahedra, faces with four equivalent TbAl12 cuboctahedra, and faces with fourteen equivalent AlTb4Al8 cuboctahedra. All Al–Al bond lengths are 3.02 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Al17 by Materials Project

Tb2Al17 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to eighteen Al atoms. There are a spread of Tb–Al bond distances ranging from 3.28–3.63 Å. In the second Tb site, Tb is bonded in a 2-coordinate geometry to twenty Al atoms. There are a spread of Tb–Al bond distances ranging from 3.12–3.53 Å. There are eight inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Tb and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.64–3.11 Å. In the second Al site, Al is bonded to two equivalent Tb and ten Al atoms to form AlTb2Al10 cuboctahedra that share corners with fourteen AlTb2Al10 cuboctahedra, edges with six AlTb3Al9 cuboctahedra, and faces with ten AlTb2Al10 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.67–2.78 Å. In the third Al site, Al is bonded to two equivalent Tb and ten Al atoms to form AlTb2Al10 cuboctahedra that share corners with fourteen AlTb2Al10 cuboctahedra, edges with six AlTb3Al9 cuboctahedra, and faces with ten AlTb2Al10 cuboctahedra. There are four shorter (2.68 Å) and four longer (2.78 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two Tb and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.74–2.93 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two Tb and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.96 Å. In the sixth Al site, Al is bonded in a 12-coordinate geometry to two Tb and eight Al atoms. There are two shorter (2.75 Å) and two longer (2.83 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded to three Tb and nine Al atoms to form a mixture of distorted edge, face, and corner-sharing AlTb3Al9 cuboctahedra. Both Al–Al bond lengths are 2.71 Å. In the eighth Al site, Al is bonded to three Tb and nine Al atoms to form a mixture of distorted edge, face, and corner-sharing AlTb3Al9 cuboctahedra.

36 MATERIALS SCIENCE↗