YbFe2O4 is Aluminum carbonitride-like structured and crystallizes in the trigonal R-3m space group. Yb(1) is bonded to six equivalent O(2) atoms to form YbO6 octahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids and edges with six equivalent Yb(1)O6 octahedra. Fe(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted FeO5 trigonal bipyramids that share corners with three equivalent Yb(1)O6 octahedra, corners with six equivalent Fe(1)O5 trigonal bipyramids, and edges with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Fe(1) atoms to form distorted OFe4 tetrahedra that share corners with four O(2,2)Yb3Fe tetrahedra; corners with six equivalent O(1)Fe4 tetrahedra; and edges with three equivalent O(1)Fe4 tetrahedra. In the second O site, O(2) is bonded to three equivalent Yb(1) and one Fe(1) atom to form distorted OYb3Fe tetrahedra that share corners with four equivalent O(1)Fe4 tetrahedra, corners with nine equivalent O(2)Yb3Fe tetrahedra, and edges with three equivalent O(2)Yb3Fe tetrahedra. In the third O site, O(2) is bonded to three equivalent Yb(1) and one Fe(1) atom to form distorted OYb3Fe tetrahedra that share corners with four equivalent O(1)Fe4 tetrahedra; corners with nine O(2,2)Yb3Fe tetrahedra; and edges with three equivalent O(2)Yb3Fe tetrahedra. In the fourth O site, O(2) is bonded to three equivalent Yb(1) and one Fe(1) atom to form distorted OYb3Fe tetrahedra that share corners with four equivalent O(1)Fe4 tetrahedra, corners with nine equivalent O(2)Yb3Fe tetrahedra, and edges with three equivalent O(2)Yb3Fe tetrahedra.
YbFe2O4 is Aluminum carbonitride-like structured and crystallizes in the trigonal R-3m space group. Yb(1) is bonded to six equivalent O(2) atoms to form YbO6 octahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids and edges with six equivalent Yb(1)O6 octahedra. All Yb(1)-O(2) bond lengths are 2.32 Å. Fe(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted FeO5 trigonal bipyramids that share corners with three equivalent Yb(1)O6 octahedra, corners with six equivalent Fe(1)O5 trigonal bipyramids, and edges with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. The Fe(1)-O(2) bond length is 1.82 Å. There are three shorter (2.04 Å) and one longer (2.20 Å) Fe(1)-O(1) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Fe(1) atoms to form distorted OFe4 tetrahedra that share corners with four O(2,2)Yb3Fe tetrahedra; corners with six equivalent O(1)Fe4 tetrahedra; and edges with three equivalent O(1)Fe4 tetrahedra. In the second O site, O(2) is bonded to three equivalent Yb(1) and one Fe(1) atom to form distorted OYb3Fe tetrahedra that share corners with four equivalent O(1)Fe4 tetrahedra, corners with nine equivalent O(2)Yb3Fe tetrahedra, and edges with three equivalent O(2)Yb3Fe tetrahedra. In the third O site, O(2) is bonded to three equivalent Yb(1) and one Fe(1) atom to form distorted OYb3Fe tetrahedra that share corners with four equivalent O(1)Fe4 tetrahedra; corners with nine O(2,2)Yb3Fe tetrahedra; and edges with three equivalent O(2)Yb3Fe tetrahedra. All O(2)-Yb(1) bond lengths are 2.32 Å. The O(2)-Fe(1) bond length is 1.82 Å. In the fourth O site, O(2) is bonded to three equivalent Yb(1) and one Fe(1) atom to form distorted OYb3Fe tetrahedra that share corners with four equivalent O(1)Fe4 tetrahedra, corners with nine equivalent O(2)Yb3Fe tetrahedra, and edges with three equivalent O(2)Yb3Fe tetrahedra. All O(2)-Yb(1) bond lengths are 2.32 Å. The O(2)-Fe(1) bond length is 1.82 Å.