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Materials Data on YbTm3 by Materials Project

YbTm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Tm atoms to form YbTm12 cuboctahedra that share corners with four equivalent YbTm12 cuboctahedra, corners with eight equivalent TmYb4Tm8 cuboctahedra, edges with eight equivalent YbTm12 cuboctahedra, edges with sixteen equivalent TmYb4Tm8 cuboctahedra, faces with four equivalent YbTm12 cuboctahedra, and faces with fourteen TmYb4Tm8 cuboctahedra. There are four shorter (3.53 Å) and eight longer (3.55 Å) Yb–Tm bond lengths. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Yb and eight Tm atoms to form TmYb4Tm8 cuboctahedra that share corners with twelve equivalent TmYb4Tm8 cuboctahedra, edges with eight equivalent YbTm12 cuboctahedra, edges with sixteen TmYb4Tm8 cuboctahedra, faces with four equivalent YbTm12 cuboctahedra, and faces with fourteen TmYb4Tm8 cuboctahedra. There are four shorter (3.53 Å) and four longer (3.55 Å) Tm–Tm bond lengths. In the second Tm site, Tm is bonded to four equivalent Yb and eight equivalent Tm atoms to form TmYb4Tm8 cuboctahedra that share corners with four equivalent TmYb4Tm8 cuboctahedra, corners with eight equivalent YbTm12 cuboctahedra, edges with twenty-four TmYb4Tm8 cuboctahedra, faces with six equivalent YbTm12 cuboctahedra, and faces with twelve TmYb4Tm8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Yb3Tm by Materials Project

Yb3Tm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Tm atoms to form YbYb8Tm4 cuboctahedra that share corners with four equivalent TmYb12 cuboctahedra, corners with fourteen equivalent YbYb8Tm4 cuboctahedra, edges with six equivalent TmYb12 cuboctahedra, edges with twelve equivalent YbYb8Tm4 cuboctahedra, faces with four equivalent TmYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Tm4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.65–3.84 Å. There are two shorter (3.69 Å) and two longer (3.75 Å) Yb–Tm bond lengths. Tm is bonded to twelve equivalent Yb atoms to form TmYb12 cuboctahedra that share corners with six equivalent TmYb12 cuboctahedra, corners with twelve equivalent YbYb8Tm4 cuboctahedra, edges with eighteen equivalent YbYb8Tm4 cuboctahedra, faces with eight equivalent TmYb12 cuboctahedra, and faces with twelve equivalent YbYb8Tm4 cuboctahedra.

36 MATERIALS SCIENCE↗