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Materials Data on Tm3Mg by Materials Project

MgTm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Tm atoms to form MgTm12 cuboctahedra that share corners with six equivalent MgTm12 cuboctahedra, corners with twelve equivalent TmTm8Mg4 cuboctahedra, edges with eighteen equivalent TmTm8Mg4 cuboctahedra, faces with eight equivalent MgTm12 cuboctahedra, and faces with twelve equivalent TmTm8Mg4 cuboctahedra. There are six shorter (3.38 Å) and six longer (3.46 Å) Mg–Tm bond lengths. Tm is bonded to four equivalent Mg and eight equivalent Tm atoms to form TmTm8Mg4 cuboctahedra that share corners with four equivalent MgTm12 cuboctahedra, corners with fourteen equivalent TmTm8Mg4 cuboctahedra, edges with six equivalent MgTm12 cuboctahedra, edges with twelve equivalent TmTm8Mg4 cuboctahedra, faces with four equivalent MgTm12 cuboctahedra, and faces with sixteen equivalent TmTm8Mg4 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.41–3.50 Å.

36 MATERIALS SCIENCE↗

Materials Data on Tm3Mg by Materials Project

MgTm3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Tm atoms. All Mg–Tm bond lengths are 3.33 Å. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Mg and eight Tm atoms to form a mixture of distorted face, edge, and corner-sharing TmTm8Mg4 cuboctahedra. There are four shorter (3.45 Å) and four longer (3.53 Å) Tm–Tm bond lengths. In the second Tm site, Tm is bonded to twelve Tm atoms to form TmTm12 cuboctahedra that share corners with four equivalent TmTm12 cuboctahedra, edges with sixteen equivalent TmTm8Mg4 cuboctahedra, and faces with sixteen TmTm8Mg4 cuboctahedra. All Tm–Tm bond lengths are 3.53 Å.

36 MATERIALS SCIENCE↗