Materials Data on Yb3Cr by Materials Project

Abstract

Yb3Cr 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 12-coordinate geometry to four equivalent Yb and four equivalent Cr atoms. All Yb–Yb bond lengths are 3.49 Å. All Yb–Cr bond lengths are 3.49 Å. In the second Yb site, Yb is bonded to eight equivalent Yb and four equivalent Cr atoms to form YbYb8Cr4 cuboctahedra that share corners with four equivalent YbYb8Cr4 cuboctahedra, corners with eight equivalent CrYb12 cuboctahedra, edges with eight equivalent YbYb8Cr4 cuboctahedra, faces with four equivalent YbYb8Cr4 cuboctahedra, and faces with six equivalent CrYb12 cuboctahedra. All Yb–Cr bond lengths are 3.67 Å. Cr is bonded to twelve Yb atoms to form CrYb12 cuboctahedra that share corners with four equivalent CrYb12 cuboctahedra, corners with eight equivalent YbYb8Cr4 cuboctahedra, edges with eight equivalent CrYb12 cuboctahedra, faces with four equivalent CrYb12 cuboctahedra, and faces with six equivalent YbYb8Cr4 cuboctahedra.