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Materials Data on Yb3Tc by Materials Project

Yb3Tc is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 4-coordinate geometry to four equivalent Yb and four equivalent Tc atoms. All Yb–Yb bond lengths are 3.21 Å. All Yb–Tc bond lengths are 3.21 Å. In the second Yb site, Yb is bonded to eight equivalent Yb and four equivalent Tc atoms to form YbYb8Tc4 cuboctahedra that share corners with four equivalent YbYb8Tc4 cuboctahedra, corners with eight equivalent TcYb12 cuboctahedra, edges with eight equivalent YbYb8Tc4 cuboctahedra, faces with four equivalent YbYb8Tc4 cuboctahedra, and faces with six equivalent TcYb12 cuboctahedra. All Yb–Tc bond lengths are 3.42 Å. Tc is bonded to twelve Yb atoms to form TcYb12 cuboctahedra that share corners with four equivalent TcYb12 cuboctahedra, corners with eight equivalent YbYb8Tc4 cuboctahedra, edges with eight equivalent TcYb12 cuboctahedra, faces with four equivalent TcYb12 cuboctahedra, and faces with six equivalent YbYb8Tc4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Yb3Tc by Materials Project

Yb3Tc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Yb and four equivalent Tc atoms to form a mixture of distorted corner, edge, and face-sharing YbYb4Tc4 tetrahedra. All Yb–Yb bond lengths are 3.17 Å. All Yb–Tc bond lengths are 3.17 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to eight equivalent Yb and six equivalent Tc atoms. All Yb–Tc bond lengths are 3.66 Å. Tc is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms.

36 MATERIALS SCIENCE↗