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Materials Data on TmAlCu by Materials Project

TmCuAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are four shorter (2.88 Å) and one longer (2.90 Å) Tm–Cu bond lengths. There are two shorter (3.12 Å) and four longer (3.19 Å) Tm–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Al atoms. All Cu–Al bond lengths are 2.57 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Al atoms. All Cu–Al bond lengths are 2.73 Å. Al is bonded in a 12-coordinate geometry to six equivalent Tm, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.88 Å.

36 MATERIALS SCIENCE↗

Materials Data on Tm(Al2Cu)4 by Materials Project

Tm(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Tm–Cu bond lengths are 3.36 Å. There are four shorter (3.05 Å) and eight longer (3.20 Å) Tm–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Tm, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.56 Å. There are four shorter (2.56 Å) and four longer (2.68 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tm, four equivalent Cu, and four equivalent Al atoms. There are two shorter (2.80 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 one Tm, four equivalent Cu, and five Al atoms. The Al–Al bond length is 2.68 Å.

36 MATERIALS SCIENCE↗

Materials Data on Tm6Al7Cu16 by Materials Project

Tm6Cu16Al7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight Cu and four equivalent Al atoms. There are four shorter (2.94 Å) and four longer (3.01 Å) Tm–Cu bond lengths. All Tm–Al bond lengths are 3.09 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tm, six Cu, and three equivalent Al atoms. All Cu–Cu bond lengths are 2.67 Å. All Cu–Al bond lengths are 2.49 Å. In the second Cu site, Cu is bonded in a 7-coordinate geometry to three equivalent Tm, three equivalent Cu, and four Al atoms. There are one shorter (2.55 Å) and three longer (2.67 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Tm and eight Cu atoms to form a mixture of distorted face and corner-sharing AlTm4Cu8 cuboctahedra. In the second Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗

Materials Data on TmAlCu4 by Materials Project

TmCu4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to fifteen Cu and three equivalent Al atoms. There are three shorter (2.95 Å) and twelve longer (3.26 Å) Tm–Cu bond lengths. All Tm–Al bond lengths are 2.95 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Tm, six equivalent Cu, and three equivalent Al atoms to form CuTm3Al3Cu6 cuboctahedra that share corners with nine equivalent AlTm3Cu9 cuboctahedra, corners with twelve equivalent CuTm4Al2Cu6 cuboctahedra, edges with six equivalent CuTm3Al3Cu6 cuboctahedra, faces with three equivalent AlTm3Cu9 cuboctahedra, and faces with twenty CuTm3Al3Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.50 Å. All Cu–Al bond lengths are 2.95 Å. In the second Cu site, Cu is bonded to four equivalent Tm, six Cu, and two equivalent Al atoms to form distorted CuTm4Al2Cu6 cuboctahedra that share corners with four equivalent AlTm3Cu9 cuboctahedra, corners with twenty CuTm3Al3Cu6 cuboctahedra, edges with ten equivalent CuTm4Al2Cu6 cuboctahedra, faces with six equivalent AlTm3Cu9 cuboctahedra, and faces with sixteen CuTm3Al3Cu6 cuboctahedra. There are two shorter (2.55 Å) and two longer (2.57 Å) Cu–Cu bond lengths. Both Cu–Al bond lengths are 2.50 Å. Al is bonded to three equivalent Tm and nine Cu atoms to form distorted AlTm3Cu9 cuboctahedra that share corners with twenty-one CuTm3Al3Cu6 cuboctahedra, edges with six equivalent AlTm3Cu9 cuboctahedra, faces with two equivalent AlTm3Cu9 cuboctahedra, and faces with twenty-one CuTm3Al3Cu6 cuboctahedra.

36 MATERIALS SCIENCE↗