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Materials Data on Tm3Al by Materials Project

Tm3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to eight equivalent Tm and four equivalent Al atoms to form distorted TmTm8Al4 cuboctahedra that share corners with four equivalent AlTm12 cuboctahedra, corners with fourteen equivalent TmTm8Al4 cuboctahedra, edges with six equivalent AlTm12 cuboctahedra, edges with twelve equivalent TmTm8Al4 cuboctahedra, faces with four equivalent AlTm12 cuboctahedra, and faces with sixteen equivalent TmTm8Al4 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.23–3.49 Å. There are two shorter (3.24 Å) and two longer (3.36 Å) Tm–Al bond lengths. Al is bonded to twelve equivalent Tm atoms to form AlTm12 cuboctahedra that share corners with six equivalent AlTm12 cuboctahedra, corners with twelve equivalent TmTm8Al4 cuboctahedra, edges with eighteen equivalent TmTm8Al4 cuboctahedra, faces with eight equivalent AlTm12 cuboctahedra, and faces with twelve equivalent TmTm8Al4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Tm3AlC by Materials Project

Tm3AlC 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 Tm3Al framework. In the Tm3Al framework, Tm is bonded in a linear geometry to two equivalent Al atoms. Both Tm–Al bond lengths are 2.65 Å. Al is bonded to six equivalent Tm atoms to form corner-sharing AlTm6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗