BaDyFe4O7 is Hausmannite-derived structured and crystallizes in the monoclinic P2_1 space group. Ba(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Dy(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form DyO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Fe(3)O4 tetrahedra, and corners with three equivalent Fe(4)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Dy(1)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Dy(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-67°. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Dy(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Dy(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-64°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Dy(1), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Dy(1), one Fe(1), and one Fe(4) atom. In the third O site, O(3) is bonded to one Ba(1), one Dy(1), one Fe(2), and one Fe(4) atom to form distorted OBaDyFe2 tetrahedra that share corners with two equivalent O(7)Fe4 tetrahedra and corners with three equivalent O(5)BaDyFe2 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Dy(1), one Fe(1), and one Fe(3) atom. In the fifth O site, O(5) is bonded to one Ba(1), one Dy(1), one Fe(3), and one Fe(4) atom to form distorted OBaDyFe2 tetrahedra that share corners with two equivalent O(7)Fe4 tetrahedra and corners with three equivalent O(3)BaDyFe2 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Dy(1), one Fe(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form corner-sharing OFe4 tetrahedra.
BaDyFe4O7 is Hausmannite-derived structured and crystallizes in the monoclinic P2_1 space group. Ba(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Ba(1)-O(1) bond length is 2.94 Å. The Ba(1)-O(2) bond length is 3.01 Å. The Ba(1)-O(3) bond length is 2.81 Å. The Ba(1)-O(4) bond length is 2.85 Å. The Ba(1)-O(5) bond length is 2.78 Å. The Ba(1)-O(6) bond length is 2.79 Å. Dy(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form DyO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Fe(3)O4 tetrahedra, and corners with three equivalent Fe(4)O4 tetrahedra. The Dy(1)-O(1) bond length is 2.25 Å. The Dy(1)-O(2) bond length is 2.36 Å. The Dy(1)-O(3) bond length is 2.28 Å. The Dy(1)-O(4) bond length is 2.31 Å. The Dy(1)-O(5) bond length is 2.30 Å. The Dy(1)-O(6) bond length is 2.31 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Dy(1)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-58°. The Fe(1)-O(2) bond length is 1.91 Å. The Fe(1)-O(4) bond length is 1.93 Å. The Fe(1)-O(6) bond length is 1.93 Å. The Fe(1)-O(7) bond length is 1.95 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Dy(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-67°. The Fe(2)-O(1) bond length is 2.06 Å. The Fe(2)-O(3) bond length is 1.97 Å. The Fe(2)-O(6) bond length is 2.07 Å. The Fe(2)-O(7) bond length is 2.05 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Dy(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-67°. The Fe(3)-O(1) bond length is 2.00 Å. The Fe(3)-O(4) bond length is 2.07 Å. The Fe(3)-O(5) bond length is 2.03 Å. The Fe(3)-O(7) bond length is 2.08 Å. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Dy(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-64°. The Fe(4)-O(2) bond length is 2.07 Å. The Fe(4)-O(3) bond length is 1.99 Å. The Fe(4)-O(5) bond length is 1.97 Å. The Fe(4)-O(7) bond length is 2.13 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Dy(1), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Dy(1), one Fe(1), and one Fe(4) atom. In the third O site, O(3) is bonded to one Ba(1), one Dy(1), one Fe(2), and one Fe(4) atom to form distorted OBaDyFe2 tetrahedra that share corners with two equivalent O(7)Fe4 tetrahedra and corners with three equivalent O(5)BaDyFe2 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Dy(1), one Fe(1), and one Fe(3) atom. In the fifth O site, O(5) is bonded to one Ba(1), one Dy(1), one Fe(3), and one Fe(4) atom to form distorted OBaDyFe2 tetrahedra that share corners with two equivalent O(7)Fe4 tetrahedra and corners with three equivalent O(3)BaDyFe2 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Dy(1), one Fe(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form corner-sharing OFe4 tetrahedra.