Dy3FeB7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 11-coordinate geometry to two equivalent B(2), two equivalent B(4), three equivalent B(1), and four equivalent B(3) atoms. In the second Dy site, Dy(2) is bonded in a 10-coordinate geometry to four equivalent B(2) and six equivalent B(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent B(4), four equivalent B(2), and four equivalent B(3) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Dy(1), three equivalent Dy(2), one B(2), and two equivalent B(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), two equivalent Fe(1), one B(1), one B(2), and one B(3) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Dy(1), two equivalent Fe(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 8-coordinate geometry to four equivalent Dy(1), two equivalent Fe(1), and two equivalent B(3) atoms.
Dy3FeB7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 11-coordinate geometry to two equivalent B(2), two equivalent B(4), three equivalent B(1), and four equivalent B(3) atoms. Both Dy(1)-B(2) bond lengths are 2.65 Å. Both Dy(1)-B(4) bond lengths are 2.65 Å. There is one shorter (2.65 Å) and two longer (2.71 Å) Dy(1)-B(1) bond lengths. There are two shorter (2.61 Å) and two longer (2.64 Å) Dy(1)-B(3) bond lengths. In the second Dy site, Dy(2) is bonded in a 10-coordinate geometry to four equivalent B(2) and six equivalent B(1) atoms. All Dy(2)-B(2) bond lengths are 2.62 Å. There are four shorter (2.66 Å) and two longer (2.67 Å) Dy(2)-B(1) bond lengths. Fe(1) is bonded in a 10-coordinate geometry to two equivalent B(4), four equivalent B(2), and four equivalent B(3) atoms. Both Fe(1)-B(4) bond lengths are 2.26 Å. All Fe(1)-B(2) bond lengths are 2.26 Å. All Fe(1)-B(3) bond lengths are 2.26 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Dy(1), three equivalent Dy(2), one B(2), and two equivalent B(1) atoms. The B(1)-B(2) bond length is 1.90 Å. Both B(1)-B(1) bond lengths are 1.94 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), two equivalent Fe(1), one B(1), one B(2), and one B(3) atom. The B(2)-B(2) bond length is 1.80 Å. The B(2)-B(3) bond length is 1.77 Å. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Dy(1), two equivalent Fe(1), one B(2), one B(3), and one B(4) atom. The B(3)-B(3) bond length is 1.98 Å. The B(3)-B(4) bond length is 1.70 Å. In the fourth B site, B(4) is bonded in a 8-coordinate geometry to four equivalent Dy(1), two equivalent Fe(1), and two equivalent B(3) atoms.