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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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↗
DOE OSTI2020

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. Tb is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Tb–Al bond lengths are 3.48 Å. Both Tb–C bond lengths are 2.46 Å. Al is bonded to twelve equivalent Tb atoms to form AlTb12 cuboctahedra that share corners with twelve equivalent AlTb12 cuboctahedra, faces with six equivalent AlTb12 cuboctahedra, and faces with eight equivalent CTb6 octahedra. C is bonded to six equivalent Tb atoms to form CTb6 octahedra that share corners with six equivalent CTb6 octahedra and faces with eight equivalent AlTb12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗