Solute synergy induced thermal stability of high-strength nanotwinned Al-Co-Zr alloys
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Richter, N. A.↗
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Materials Data on Zr6Al2Co by Materials Project
Zr6CoAl2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to one Co and four equivalent Al atoms. The Zr–Co bond length is 3.20 Å. All Zr–Al bond lengths are 2.94 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Co and two equivalent Al atoms. Both Zr–Co bond lengths are 2.60 Å. Both Zr–Al bond lengths are 3.04 Å. Co is bonded in a 6-coordinate geometry to nine Zr atoms. Al is bonded in a 9-coordinate geometry to nine Zr atoms.
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Materials Data on ZrAlCo2 by Materials Project
Co2ZrAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Zr–Co bond lengths are 2.63 Å. Co is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Al atoms. All Co–Al bond lengths are 2.63 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Co atoms.
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Materials Data on Zr3AlCo8 by Materials Project
Zr3Co8Al is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to twelve Co atoms. There are nine shorter (2.85 Å) and three longer (2.89 Å) Zr–Co bond lengths. In the second Zr site, Zr is bonded in a 9-coordinate geometry to twelve Co and one Al atom. There are a spread of Zr–Co bond distances ranging from 2.79–3.00 Å. The Zr–Al bond length is 2.87 Å. In the third Zr site, Zr is bonded in a 12-coordinate geometry to twelve Co and three equivalent Al atoms. There are a spread of Zr–Co bond distances ranging from 2.74–2.89 Å. All Zr–Al bond lengths are 2.93 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to four Zr, six Co, and two equivalent Al atoms to form a mixture of edge, face, and corner-sharing CoZr4Al2Co6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.46 Å. Both Co–Al bond lengths are 2.85 Å. In the second Co site, Co is bonded to five Zr, six Co, and one Al atom to form a mixture of edge, face, and corner-sharing CoZr5AlCo6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.46 Å. The Co–Al bond length is 2.79 Å. In the third Co site, Co is bonded to three equivalent Zr, six Co, and three equivalent Al atoms to form CoZr3Al3Co6 cuboctahedra that share corners with eighteen CoZr4Al2Co6 cuboctahedra, edges with six equivalent CoZr3Al3Co6 cuboctahedra, and faces with eighteen CoZr4Al2Co6 cuboctahedra. All Co–Al bond lengths are 2.84 Å. In the fourth Co site, Co is bonded to six Zr and six Co atoms to form CoZr6Co6 cuboctahedra that share corners with eighteen CoZr3Al3Co6 cuboctahedra, edges with six equivalent CoZr6Co6 cuboctahedra, and faces with eighteen CoZr4Al2Co6 cuboctahedra. Al is bonded in a 7-coordinate geometry to four Zr and twelve Co atoms.
36 MATERIALS SCIENCE↗
Materials Data on Zr2Al3Co by Materials Project
Zr2CoAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Zr, three equivalent Co, and nine equivalent Al atoms. There are three shorter (3.19 Å) and one longer (3.20 Å) Zr–Zr bond lengths. All Zr–Co bond lengths are 3.08 Å. There are three shorter (2.98 Å) and six longer (3.08 Å) Zr–Al bond lengths. Co is bonded to six equivalent Zr and six equivalent Al atoms to form CoZr6Al6 cuboctahedra that share corners with six equivalent CoZr6Al6 cuboctahedra, corners with twelve equivalent AlZr6Al4Co2 cuboctahedra, edges with six equivalent CoZr6Al6 cuboctahedra, and faces with eighteen equivalent AlZr6Al4Co2 cuboctahedra. All Co–Al bond lengths are 2.57 Å. Al is bonded to six equivalent Zr, two equivalent Co, and four equivalent Al atoms to form AlZr6Al4Co2 cuboctahedra that share corners with four equivalent CoZr6Al6 cuboctahedra, corners with fourteen equivalent AlZr6Al4Co2 cuboctahedra, edges with six equivalent AlZr6Al4Co2 cuboctahedra, faces with six equivalent CoZr6Al6 cuboctahedra, and faces with twelve equivalent AlZr6Al4Co2 cuboctahedra. All Al–Al bond lengths are 2.63 Å.
36 MATERIALS SCIENCE↗
Materials Data on ZrAlCo by Materials Project
ZrAlCo crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to three equivalent Zr, five Co, and seven Al atoms. There are one shorter (3.13 Å) and two longer (3.14 Å) Zr–Zr bond lengths. There are a spread of Zr–Co bond distances ranging from 2.76–3.13 Å. There are a spread of Zr–Al bond distances ranging from 3.00–3.12 Å. In the second Zr site, Zr is bonded in a 8-coordinate geometry to four Zr, seven Co, and five Al atoms. The Zr–Zr bond length is 2.82 Å. There are a spread of Zr–Co bond distances ranging from 2.92–3.04 Å. There are a spread of Zr–Al bond distances ranging from 2.92–3.09 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six Zr and six Al atoms to form distorted CoZr6Al6 cuboctahedra that share corners with four equivalent AlZr6Al2Co4 cuboctahedra, corners with six CoZr6Al6 cuboctahedra, edges with six CoZr6Al6 cuboctahedra, and faces with fourteen AlZr6Al2Co4 cuboctahedra. There are a spread of Co–Al bond distances ranging from 2.53–2.63 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six Zr, four Co, and two equivalent Al atoms. There are a spread of Co–Co bond distances ranging from 2.49–2.73 Å. Both Co–Al bond lengths are 2.46 Å. In the third Co site, Co is bonded to six Zr, four equivalent Co, and two equivalent Al atoms to form distorted CoZr6Al2Co4 cuboctahedra that share corners with six CoZr6Al6 cuboctahedra, corners with twelve AlZr6Al2Co4 cuboctahedra, edges with six CoZr6Al6 cuboctahedra, and faces with ten AlZr6Al2Co4 cuboctahedra. Both Co–Al bond lengths are 2.48 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six Zr, four Co, and two equivalent Al atoms to form distorted AlZr6Al2Co4 cuboctahedra that share corners with four CoZr6Al6 cuboctahedra, corners with four equivalent AlZr6Al4Co2 cuboctahedra, edges with six equivalent AlZr6Al2Co4 cuboctahedra, faces with six CoZr6Al6 cuboctahedra, and faces with eight AlZr6Al2Co4 cuboctahedra. Both Al–Al bond lengths are 2.68 Å. In the second Al site, Al is bonded to six Zr, two equivalent Co, and four Al atoms to form distorted AlZr6Al4Co2 cuboctahedra that share corners with four equivalent CoZr6Al2Co4 cuboctahedra, corners with eight AlZr6Al2Co4 cuboctahedra, edges with two equivalent AlZr6Al4Co2 cuboctahedra, faces with six CoZr6Al6 cuboctahedra, and faces with ten AlZr6Al2Co4 cuboctahedra. There are one shorter (2.56 Å) and one longer (2.66 Å) Al–Al bond lengths.
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Materials Data on ZrAlCo4 by Materials Project
ZrCo4Al is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Co and four equivalent Al atoms. All Zr–Co bond lengths are 2.80 Å. All Zr–Al bond lengths are 2.93 Å. Co is bonded to three equivalent Zr, six equivalent Co, and three equivalent Al atoms to form a mixture of edge, corner, and face-sharing CoZr3Al3Co6 cuboctahedra. There are three shorter (2.36 Å) and three longer (2.42 Å) Co–Co bond lengths. All Co–Al bond lengths are 2.80 Å. Al is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Co atoms.
36 MATERIALS SCIENCE↗