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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaAl4Co by Materials Project

LaCoAl4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to one Co and twelve Al atoms. The La–Co bond length is 3.02 Å. There are a spread of La–Al bond distances ranging from 3.15–3.33 Å. Co is bonded in a 9-coordinate geometry to one La and eight Al atoms. There are two shorter (2.31 Å) and six longer (2.57 Å) Co–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent La, two equivalent Co, and eight Al atoms. There are four shorter (2.82 Å) and four longer (2.93 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent La, two equivalent Co, and eight Al atoms. There are two shorter (2.73 Å) and two longer (3.02 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 2-coordinate geometry to four equivalent La, two equivalent Co, and six Al atoms. There are one shorter (2.76 Å) and one longer (3.12 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaAlCo4 by Materials Project

LaCo4Al crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to fifteen Co and three equivalent Al atoms. There are three shorter (3.02 Å) and twelve longer (3.24 Å) La–Co bond lengths. All La–Al bond lengths are 3.02 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to three equivalent La, six Co, and three equivalent Al atoms to form distorted CoLa3Al3Co6 cuboctahedra that share corners with twelve CoLa4Al2Co6 cuboctahedra, edges with six equivalent CoLa3Al3Co6 cuboctahedra, and faces with twenty CoLa3Al3Co6 cuboctahedra. All Co–Co bond lengths are 2.42 Å. There are two shorter (3.01 Å) and one longer (3.03 Å) Co–Al bond lengths. In the second Co site, Co is bonded to four equivalent La, six Co, and two equivalent Al atoms to form distorted CoLa4Al2Co6 cuboctahedra that share corners with twenty CoLa3Al3Co6 cuboctahedra, edges with ten CoLa4Al2Co6 cuboctahedra, and faces with sixteen CoLa3Al3Co6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.55–2.68 Å. Both Co–Al bond lengths are 2.46 Å. In the third Co site, Co is bonded to four equivalent La, six Co, and two equivalent Al atoms to form distorted CoLa4Al2Co6 cuboctahedra that share corners with twenty CoLa3Al3Co6 cuboctahedra, edges with ten CoLa4Al2Co6 cuboctahedra, and faces with sixteen CoLa3Al3Co6 cuboctahedra. Both Co–Al bond lengths are 2.47 Å. Al is bonded in a 12-coordinate geometry to three equivalent La and nine Co atoms.

36 MATERIALS SCIENCE↗