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DOE OSTI2020

Materials Data on ThAl2 by Materials Project

ThAl2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Th and twelve equivalent Al atoms. All Th–Th bond lengths are 3.49 Å. All Th–Al bond lengths are 3.34 Å. Al is bonded to six equivalent Th and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlTh6Al6 cuboctahedra. All Al–Al bond lengths are 2.85 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThAl2 by Materials Project

ThAl2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded to twelve equivalent Al atoms to form a mixture of edge and face-sharing ThAl12 cuboctahedra. All Th–Al bond lengths are 3.29 Å. Al is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Al atoms. All Al–Al bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗