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Materials Data on Tb3Al by Materials Project

Tb3Al is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to eight equivalent Tb and four equivalent Al atoms to form distorted TbTb8Al4 cuboctahedra that share corners with twelve equivalent TbTb8Al4 cuboctahedra, edges with eight equivalent AlTb12 cuboctahedra, edges with sixteen equivalent TbTb8Al4 cuboctahedra, faces with four equivalent AlTb12 cuboctahedra, and faces with fourteen equivalent TbTb8Al4 cuboctahedra. All Tb–Tb bond lengths are 3.38 Å. All Tb–Al bond lengths are 3.38 Å. Al is bonded to twelve equivalent Tb atoms to form AlTb12 cuboctahedra that share corners with twelve equivalent AlTb12 cuboctahedra, edges with twenty-four equivalent TbTb8Al4 cuboctahedra, faces with six equivalent AlTb12 cuboctahedra, and faces with twelve equivalent TbTb8Al4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Tb3AlC by Materials Project

Tb3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Tb3Al framework. In the Tb3Al framework, Tb is bonded in a linear geometry to two equivalent Al atoms. Both Tb–Al bond lengths are 2.69 Å. Al is bonded to six equivalent Tb atoms to form corner-sharing AlTb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗