BaYbFe4O7 crystallizes in the monoclinic C2 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Yb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form YbO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and corners with six equivalent Fe(2)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form FeO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with four equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-67°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form FeO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with four equivalent Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-61°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Yb(1), and two equivalent Fe(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Yb(1), and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a tetrahedral geometry to two equivalent Fe(1) and two equivalent Fe(2) atoms.
BaYbFe4O7 crystallizes in the monoclinic C2 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Ba(1)-O(1) bond lengths are 2.76 Å. Both Ba(1)-O(2) bond lengths are 2.91 Å. Both Ba(1)-O(3) bond lengths are 3.20 Å. Both Ba(1)-O(4) bond lengths are 3.18 Å. Yb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form YbO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and corners with six equivalent Fe(2)O4 tetrahedra. The Yb(1)-O(3) bond length is 2.45 Å. The Yb(1)-O(4) bond length is 2.25 Å. Both Yb(1)-O(1) bond lengths are 2.36 Å. Both Yb(1)-O(2) bond lengths are 2.32 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form FeO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with four equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-67°. The Fe(1)-O(1) bond length is 2.05 Å. The Fe(1)-O(2) bond length is 1.99 Å. The Fe(1)-O(4) bond length is 1.96 Å. The Fe(1)-O(5) bond length is 2.12 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form FeO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with four equivalent Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-61°. The Fe(2)-O(1) bond length is 1.90 Å. The Fe(2)-O(2) bond length is 1.89 Å. The Fe(2)-O(3) bond length is 1.94 Å. The Fe(2)-O(5) bond length is 1.96 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Yb(1), and two equivalent Fe(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Yb(1), and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a tetrahedral geometry to two equivalent Fe(1) and two equivalent Fe(2) atoms.