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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TmAlCo by Materials Project

TmCoAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to three equivalent Tm, five Co, and seven Al atoms. There are two shorter (3.23 Å) and one longer (3.24 Å) Tm–Tm bond lengths. There are a spread of Tm–Co bond distances ranging from 2.87–3.18 Å. There are a spread of Tm–Al bond distances ranging from 3.12–3.17 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to four Tm, seven Co, and five Al atoms. The Tm–Tm bond length is 2.94 Å. There are a spread of Tm–Co bond distances ranging from 2.99–3.10 Å. There are a spread of Tm–Al bond distances ranging from 3.01–3.15 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six Tm and six Al atoms to form CoTm6Al6 cuboctahedra that share corners with four equivalent CoTm6Al6 cuboctahedra, corners with four equivalent AlTm6Al2Co4 cuboctahedra, edges with two equivalent CoTm6Al6 cuboctahedra, and faces with fourteen AlTm6Al2Co4 cuboctahedra. There are a spread of Co–Al bond distances ranging from 2.61–2.71 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six Tm, four Co, and two equivalent Al atoms. There are a spread of Co–Co bond distances ranging from 2.49–2.85 Å. Both Co–Al bond lengths are 2.52 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to six Tm, four equivalent Co, and two equivalent Al atoms. Both Co–Al bond lengths are 2.52 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six Tm, four Co, and two equivalent Al atoms to form distorted AlTm6Al2Co4 cuboctahedra that share corners with two equivalent CoTm6Al6 cuboctahedra, corners with four equivalent AlTm6Al4Co2 cuboctahedra, edges with six equivalent AlTm6Al2Co4 cuboctahedra, faces with three equivalent CoTm6Al6 cuboctahedra, and faces with eight AlTm6Al2Co4 cuboctahedra. Both Al–Al bond lengths are 2.77 Å. In the second Al site, Al is bonded to six Tm, two equivalent Co, and four Al atoms to form distorted AlTm6Al4Co2 cuboctahedra that share corners with eight AlTm6Al2Co4 cuboctahedra, edges with two equivalent AlTm6Al4Co2 cuboctahedra, faces with four equivalent CoTm6Al6 cuboctahedra, and faces with ten AlTm6Al2Co4 cuboctahedra. There are one shorter (2.65 Å) and one longer (2.71 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmAlCo4 by Materials Project

TmCo4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to fifteen Co and three equivalent Al atoms. There are three shorter (2.90 Å) and twelve longer (3.18 Å) Tm–Co bond lengths. All Tm–Al bond lengths are 2.90 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Tm, six equivalent Co, and three equivalent Al atoms to form CoTm3Al3Co6 cuboctahedra that share corners with nine equivalent AlTm3Co9 cuboctahedra, corners with twelve equivalent CoTm4Al2Co6 cuboctahedra, edges with six equivalent CoTm3Al3Co6 cuboctahedra, faces with three equivalent AlTm3Co9 cuboctahedra, and faces with twenty CoTm3Al3Co6 cuboctahedra. All Co–Co bond lengths are 2.41 Å. All Co–Al bond lengths are 2.90 Å. In the second Co site, Co is bonded to four equivalent Tm, six Co, and two equivalent Al atoms to form distorted CoTm4Al2Co6 cuboctahedra that share corners with four equivalent AlTm3Co9 cuboctahedra, corners with twenty CoTm3Al3Co6 cuboctahedra, edges with ten equivalent CoTm4Al2Co6 cuboctahedra, faces with six equivalent AlTm3Co9 cuboctahedra, and faces with sixteen CoTm3Al3Co6 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.55 Å) Co–Co bond lengths. Both Co–Al bond lengths are 2.44 Å. Al is bonded to three equivalent Tm and nine Co atoms to form distorted AlTm3Co9 cuboctahedra that share corners with twenty-one CoTm3Al3Co6 cuboctahedra, edges with six equivalent AlTm3Co9 cuboctahedra, faces with two equivalent AlTm3Co9 cuboctahedra, and faces with twenty-one CoTm3Al3Co6 cuboctahedra.

36 MATERIALS SCIENCE↗