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Materials Data on Al6Tc by Materials Project

TcAl6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tc is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Tc–Al bond distances ranging from 2.52–2.67 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tc and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.96 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tc and eight Al atoms. All Al–Al bond lengths are 2.97 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to one Tc and ten Al atoms. There are one shorter (2.53 Å) and one longer (2.70 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Al12Tc by Materials Project

TcAl12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Tc is bonded in a cuboctahedral geometry to twelve equivalent Al atoms. All Tc–Al bond lengths are 2.72 Å. Al is bonded in a 1-coordinate geometry to one Tc and ten equivalent Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–2.89 Å.

36 MATERIALS SCIENCE↗

Materials Data on Al3Tc by Materials Project

TcAl3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tc is bonded to twelve Al atoms to form TcAl12 cuboctahedra that share corners with four equivalent TcAl12 cuboctahedra, corners with eight equivalent AlAl8Tc4 cuboctahedra, edges with eight equivalent TcAl12 cuboctahedra, edges with sixteen equivalent AlAl8Tc4 cuboctahedra, faces with four equivalent TcAl12 cuboctahedra, and faces with fourteen AlAl8Tc4 cuboctahedra. There are four shorter (2.71 Å) and eight longer (2.78 Å) Tc–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Tc and eight Al atoms to form AlAl8Tc4 cuboctahedra that share corners with twelve equivalent AlAl8Tc4 cuboctahedra, edges with eight equivalent TcAl12 cuboctahedra, edges with sixteen AlAl8Tc4 cuboctahedra, faces with four equivalent TcAl12 cuboctahedra, and faces with fourteen AlAl8Tc4 cuboctahedra. There are four shorter (2.71 Å) and four longer (2.78 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four equivalent Tc and eight equivalent Al atoms to form distorted AlAl8Tc4 cuboctahedra that share corners with four equivalent AlAl8Tc4 cuboctahedra, corners with eight equivalent TcAl12 cuboctahedra, edges with twenty-four AlAl8Tc4 cuboctahedra, faces with six equivalent TcAl12 cuboctahedra, and faces with twelve AlAl8Tc4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on AlTc2 by Materials Project

Tc2Al crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tc is bonded in a 8-coordinate geometry to four equivalent Tc and four equivalent Al atoms. All Tc–Tc bond lengths are 2.62 Å. All Tc–Al bond lengths are 2.66 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Tc atoms.

36 MATERIALS SCIENCE↗