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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tb3DyAl8 by Materials Project

DyTb3Al8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four Tb and twelve Al atoms. There are three shorter (3.41 Å) and one longer (3.42 Å) Dy–Tb bond lengths. There are three shorter (3.26 Å) and nine longer (3.27 Å) Dy–Al bond lengths. There are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to four Tb and twelve Al atoms. There are three shorter (3.41 Å) and one longer (3.42 Å) Tb–Tb bond lengths. All Tb–Al bond lengths are 3.27 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to one Dy, three equivalent Tb, and twelve Al atoms. All Tb–Al bond lengths are 3.27 Å. In the third Tb site, Tb is bonded in a 12-coordinate geometry to three equivalent Dy, one Tb, and twelve Al atoms. All Tb–Al bond lengths are 3.27 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded to three equivalent Dy, three equivalent Tb, and six Al atoms to form AlTb3Dy3Al6 cuboctahedra that share corners with eighteen AlTb6Al6 cuboctahedra, edges with six equivalent AlTb3Dy3Al6 cuboctahedra, and faces with eighteen AlTb4Dy2Al6 cuboctahedra. There are three shorter (2.78 Å) and three longer (2.79 Å) Al–Al bond lengths. In the second Al site, Al is bonded to six Tb and six Al atoms to form AlTb6Al6 cuboctahedra that share corners with eighteen AlTb3Dy3Al6 cuboctahedra, edges with six equivalent AlTb6Al6 cuboctahedra, and faces with eighteen AlTb4Dy2Al6 cuboctahedra. All Al–Al bond lengths are 2.79 Å. In the third Al site, Al is bonded to two equivalent Dy, four Tb, and six Al atoms to form AlTb4Dy2Al6 cuboctahedra that share corners with eighteen AlTb3Dy3Al6 cuboctahedra, edges with six AlTb4Dy2Al6 cuboctahedra, and faces with eighteen AlTb3Dy3Al6 cuboctahedra. All Al–Al bond lengths are 2.79 Å. In the fourth Al site, Al is bonded to one Dy, five Tb, and six Al atoms to form AlTb5DyAl6 cuboctahedra that share corners with eighteen AlTb3Dy3Al6 cuboctahedra, edges with six AlTb4Dy2Al6 cuboctahedra, and faces with eighteen AlTb3Dy3Al6 cuboctahedra. All Al–Al bond lengths are 2.79 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbDyAl4 by Materials Project

DyTbAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Tb and twelve equivalent Al atoms. All Dy–Tb bond lengths are 3.41 Å. All Dy–Al bond lengths are 3.26 Å. Tb is bonded in a 12-coordinate geometry to four equivalent Dy and twelve equivalent Al atoms. All Tb–Al bond lengths are 3.26 Å. Al is bonded to three equivalent Dy, three equivalent Tb, and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlTb3Dy3Al6 cuboctahedra. All Al–Al bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbDy3Al8 by Materials Project

Dy3TbAl8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to four Dy and twelve Al atoms. There are three shorter (3.41 Å) and one longer (3.42 Å) Dy–Dy bond lengths. All Dy–Al bond lengths are 3.26 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to three equivalent Dy, one Tb, and twelve Al atoms. The Dy–Tb bond length is 3.41 Å. All Dy–Al bond lengths are 3.26 Å. In the third Dy site, Dy is bonded in a 12-coordinate geometry to one Dy, three equivalent Tb, and twelve Al atoms. All Dy–Tb bond lengths are 3.41 Å. There are six shorter (3.26 Å) and six longer (3.27 Å) Dy–Al bond lengths. Tb is bonded in a 12-coordinate geometry to four Dy and twelve Al atoms. All Tb–Al bond lengths are 3.26 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded to three equivalent Dy, three equivalent Tb, and six Al atoms to form AlTb3Dy3Al6 cuboctahedra that share corners with eighteen AlDy6Al6 cuboctahedra, edges with six equivalent AlTb3Dy3Al6 cuboctahedra, and faces with eighteen AlTb2Dy4Al6 cuboctahedra. There are three shorter (2.78 Å) and three longer (2.79 Å) Al–Al bond lengths. In the second Al site, Al is bonded to six Dy and six Al atoms to form AlDy6Al6 cuboctahedra that share corners with eighteen AlTb3Dy3Al6 cuboctahedra, edges with six equivalent AlDy6Al6 cuboctahedra, and faces with eighteen AlTb2Dy4Al6 cuboctahedra. All Al–Al bond lengths are 2.78 Å. In the third Al site, Al is bonded to four Dy, two equivalent Tb, and six Al atoms to form AlTb2Dy4Al6 cuboctahedra that share corners with eighteen AlTb3Dy3Al6 cuboctahedra, edges with six AlTb2Dy4Al6 cuboctahedra, and faces with eighteen AlTb3Dy3Al6 cuboctahedra. There are two shorter (2.78 Å) and two longer (2.79 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded to five Dy, one Tb, and six Al atoms to form AlTbDy5Al6 cuboctahedra that share corners with eighteen AlTb3Dy3Al6 cuboctahedra, edges with six AlTb2Dy4Al6 cuboctahedra, and faces with eighteen AlTb3Dy3Al6 cuboctahedra. All Al–Al bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗