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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LuAl2 by Materials Project

LuAl2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to four equivalent Lu and twelve equivalent Al atoms. All Lu–Lu bond lengths are 3.36 Å. All Lu–Al bond lengths are 3.22 Å. Al is bonded to six equivalent Lu and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlLu6Al6 cuboctahedra. All Al–Al bond lengths are 2.74 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuAl by Materials Project

LuAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Lu–Al bond distances ranging from 2.99–3.50 Å. In the second Lu site, Lu is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Lu–Al bond distances ranging from 3.00–3.35 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Lu and four Al atoms to form a mixture of distorted edge, face, and corner-sharing AlLu8Al4 cuboctahedra. There are two shorter (2.71 Å) and two longer (2.76 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Lu and two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Al2 by Materials Project

Lu3Al2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Lu–Al bond lengths are 3.23 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.03 Å) and four longer (3.06 Å) Lu–Al bond lengths. In the third Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.00 Å) and four longer (3.14 Å) Lu–Al bond lengths. Al is bonded in a 10-coordinate geometry to eight Lu and two equivalent Al atoms. There are one shorter (2.73 Å) and one longer (2.94 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuAl3 by Materials Project

LuAl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Al atoms to form LuAl12 cuboctahedra that share corners with twelve equivalent LuAl12 cuboctahedra, edges with twenty-four equivalent AlLu4Al8 cuboctahedra, faces with six equivalent LuAl12 cuboctahedra, and faces with twelve equivalent AlLu4Al8 cuboctahedra. All Lu–Al bond lengths are 2.97 Å. Al is bonded to four equivalent Lu and eight equivalent Al atoms to form AlLu4Al8 cuboctahedra that share corners with twelve equivalent AlLu4Al8 cuboctahedra, edges with eight equivalent LuAl12 cuboctahedra, edges with sixteen equivalent AlLu4Al8 cuboctahedra, faces with four equivalent LuAl12 cuboctahedra, and faces with fourteen equivalent AlLu4Al8 cuboctahedra. All Al–Al bond lengths are 2.97 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuAl3 by Materials Project

LuAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Al atoms to form a mixture of face and corner-sharing LuAl12 cuboctahedra. There are six shorter (3.03 Å) and six longer (3.07 Å) Lu–Al bond lengths. Al is bonded in a 10-coordinate geometry to four equivalent Lu and six equivalent Al atoms. There are two shorter (2.77 Å) and four longer (2.82 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Al by Materials Project

Lu3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to eight equivalent Lu and four equivalent Al atoms to form distorted LuLu8Al4 cuboctahedra that share corners with four equivalent AlLu12 cuboctahedra, corners with fourteen equivalent LuLu8Al4 cuboctahedra, edges with six equivalent AlLu12 cuboctahedra, edges with twelve equivalent LuLu8Al4 cuboctahedra, faces with four equivalent AlLu12 cuboctahedra, and faces with sixteen equivalent LuLu8Al4 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.22–3.43 Å. There are two shorter (3.22 Å) and two longer (3.33 Å) Lu–Al bond lengths. Al is bonded to twelve equivalent Lu atoms to form AlLu12 cuboctahedra that share corners with six equivalent AlLu12 cuboctahedra, corners with twelve equivalent LuLu8Al4 cuboctahedra, edges with eighteen equivalent LuLu8Al4 cuboctahedra, faces with eight equivalent AlLu12 cuboctahedra, and faces with twelve equivalent LuLu8Al4 cuboctahedra.

36 MATERIALS SCIENCE↗