Gd3Y3Fe23 crystallizes in the trigonal R3m space group. Gd(1) is bonded in a 12-coordinate geometry to one Fe(1), one Fe(2), one Fe(6), one Fe(7), two equivalent Fe(10), two equivalent Fe(11), two equivalent Fe(4), and two equivalent Fe(9) atoms. Y(1) is bonded in a 12-coordinate geometry to one Fe(3), one Fe(4), one Fe(8), one Fe(9), two equivalent Fe(10), two equivalent Fe(11), two equivalent Fe(2), and two equivalent Fe(7) atoms. There are eleven inequivalent Fe sites. In the first Fe site, Fe(9) is bonded in a 13-coordinate geometry to two equivalent Gd(1), one Y(1), one Fe(10), one Fe(3), one Fe(5), one Fe(6), two equivalent Fe(11), two equivalent Fe(4), and two equivalent Fe(7) atoms. In the second Fe site, Fe(10) is bonded to two equivalent Gd(1), two equivalent Y(1), one Fe(6), one Fe(7), one Fe(8), one Fe(9), two equivalent Fe(2), and two equivalent Fe(4) atoms to form a mixture of corner and face-sharing FeGd2Y2Fe8 cuboctahedra. In the third Fe site, Fe(11) is bonded to two equivalent Gd(1), two equivalent Y(1), one Fe(1), one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(7), and two equivalent Fe(9) atoms to form a mixture of corner and face-sharing FeGd2Y2Fe8 cuboctahedra. In the fourth Fe site, Fe(1) is bonded in a distorted q6 geometry to three equivalent Gd(1), three equivalent Fe(11), three equivalent Fe(2), and three equivalent Fe(7) atoms. In the fifth Fe site, Fe(2) is bonded in a distorted q6 geometry to one Gd(1), two equivalent Y(1), one Fe(1), one Fe(11), one Fe(6), two equivalent Fe(10), two equivalent Fe(2), and two equivalent Fe(7) atoms. In the sixth Fe site, Fe(3) is bonded in a distorted q6 geometry to three equivalent Y(1), three equivalent Fe(11), three equivalent Fe(4), and three equivalent Fe(9) atoms. In the seventh Fe site, Fe(4) is bonded in a distorted q6 geometry to two equivalent Gd(1), one Y(1), one Fe(11), one Fe(3), one Fe(8), two equivalent Fe(10), two equivalent Fe(4), and two equivalent Fe(9) atoms. In the eighth Fe site, Fe(5) is bonded in a body-centered cubic geometry to one Fe(6), one Fe(8), three equivalent Fe(7), and three equivalent Fe(9) atoms. In the ninth Fe site, Fe(6) is bonded in a 13-coordinate geometry to three equivalent Gd(1), one Fe(5), three equivalent Fe(10), three equivalent Fe(2), and three equivalent Fe(9) atoms. In the tenth Fe site, Fe(7) is bonded in a 13-coordinate geometry to one Gd(1), two equivalent Y(1), one Fe(1), one Fe(10), one Fe(5), one Fe(8), two equivalent Fe(11), two equivalent Fe(2), and two equivalent Fe(9) atoms. In the eleventh Fe site, Fe(8) is bonded in a 13-coordinate geometry to three equivalent Y(1), one Fe(5), three equivalent Fe(10), three equivalent Fe(4), and three equivalent Fe(7) atoms.
Gd3Y3Fe23 crystallizes in the trigonal R3m space group. Gd(1) is bonded in a 12-coordinate geometry to one Fe(1), one Fe(2), one Fe(6), one Fe(7), two equivalent Fe(10), two equivalent Fe(11), two equivalent Fe(4), and two equivalent Fe(9) atoms. The Gd(1)-Fe(1) bond length is 3.03 Å. The Gd(1)-Fe(2) bond length is 3.03 Å. The Gd(1)-Fe(6) bond length is 2.89 Å. The Gd(1)-Fe(7) bond length is 2.90 Å. Both Gd(1)-Fe(10) bond lengths are 3.05 Å. Both Gd(1)-Fe(11) bond lengths are 3.06 Å. Both Gd(1)-Fe(4) bond lengths are 3.02 Å. Both Gd(1)-Fe(9) bond lengths are 2.89 Å. Y(1) is bonded in a 12-coordinate geometry to one Fe(3), one Fe(4), one Fe(8), one Fe(9), two equivalent Fe(10), two equivalent Fe(11), two equivalent Fe(2), and two equivalent Fe(7) atoms. The Y(1)-Fe(3) bond length is 3.02 Å. The Y(1)-Fe(4) bond length is 3.03 Å. The Y(1)-Fe(8) bond length is 2.88 Å. The Y(1)-Fe(9) bond length is 2.89 Å. Both Y(1)-Fe(10) bond lengths are 3.04 Å. Both Y(1)-Fe(11) bond lengths are 3.04 Å. Both Y(1)-Fe(2) bond lengths are 3.02 Å. Both Y(1)-Fe(7) bond lengths are 2.88 Å. There are eleven inequivalent Fe sites. In the first Fe site, Fe(9) is bonded in a 13-coordinate geometry to two equivalent Gd(1), one Y(1), one Fe(10), one Fe(3), one Fe(5), one Fe(6), two equivalent Fe(11), two equivalent Fe(4), and two equivalent Fe(7) atoms. The Fe(9)-Fe(10) bond length is 2.64 Å. The Fe(9)-Fe(3) bond length is 2.60 Å. The Fe(9)-Fe(5) bond length is 2.54 Å. The Fe(9)-Fe(6) bond length is 2.94 Å. Both Fe(9)-Fe(11) bond lengths are 2.63 Å. Both Fe(9)-Fe(4) bond lengths are 2.60 Å. Both Fe(9)-Fe(7) bond lengths are 2.93 Å. In the second Fe site, Fe(10) is bonded to two equivalent Gd(1), two equivalent Y(1), one Fe(6), one Fe(7), one Fe(8), one Fe(9), two equivalent Fe(2), and two equivalent Fe(4) atoms to form a mixture of corner and face-sharing FeGd2Y2Fe8 cuboctahedra. The Fe(10)-Fe(6) bond length is 2.63 Å. The Fe(10)-Fe(7) bond length is 2.63 Å. The Fe(10)-Fe(8) bond length is 2.62 Å. Both Fe(10)-Fe(2) bond lengths are 2.46 Å. Both Fe(10)-Fe(4) bond lengths are 2.47 Å. In the third Fe site, Fe(11) is bonded to two equivalent Gd(1), two equivalent Y(1), one Fe(1), one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(7), and two equivalent Fe(9) atoms to form a mixture of corner and face-sharing FeGd2Y2Fe8 cuboctahedra. The Fe(11)-Fe(1) bond length is 2.47 Å. The Fe(11)-Fe(2) bond length is 2.46 Å. The Fe(11)-Fe(3) bond length is 2.46 Å. The Fe(11)-Fe(4) bond length is 2.48 Å. Both Fe(11)-Fe(7) bond lengths are 2.63 Å. In the fourth Fe site, Fe(1) is bonded in a distorted q6 geometry to three equivalent Gd(1), three equivalent Fe(11), three equivalent Fe(2), and three equivalent Fe(7) atoms. All Fe(1)-Fe(2) bond lengths are 2.52 Å. All Fe(1)-Fe(7) bond lengths are 2.60 Å. In the fifth Fe site, Fe(2) is bonded in a distorted q6 geometry to one Gd(1), two equivalent Y(1), one Fe(1), one Fe(11), one Fe(6), two equivalent Fe(10), two equivalent Fe(2), and two equivalent Fe(7) atoms. The Fe(2)-Fe(6) bond length is 2.61 Å. Both Fe(2)-Fe(2) bond lengths are 2.52 Å. Both Fe(2)-Fe(7) bond lengths are 2.60 Å. In the sixth Fe site, Fe(3) is bonded in a distorted q6 geometry to three equivalent Y(1), three equivalent Fe(11), three equivalent Fe(4), and three equivalent Fe(9) atoms. All Fe(3)-Fe(4) bond lengths are 2.53 Å. In the seventh Fe site, Fe(4) is bonded in a distorted q6 geometry to two equivalent Gd(1), one Y(1), one Fe(11), one Fe(3), one Fe(8), two equivalent Fe(10), two equivalent Fe(4), and two equivalent Fe(9) atoms. The Fe(4)-Fe(8) bond length is 2.61 Å. Both Fe(4)-Fe(4) bond lengths are 2.52 Å. In the eighth Fe site, Fe(5) is bonded in a body-centered cubic geometry to one Fe(6), one Fe(8), three equivalent Fe(7), and three equivalent Fe(9) atoms. The Fe(5)-Fe(6) bond length is 2.55 Å. The Fe(5)-Fe(8) bond length is 2.54 Å. All Fe(5)-Fe(7) bond lengths are 2.54 Å. In the ninth Fe site, Fe(6) is bonded in a 13-coordinate geometry to three equivalent Gd(1), one Fe(5), three equivalent Fe(10), three equivalent Fe(2), and three equivalent Fe(9) atoms. In the tenth Fe site, Fe(7) is bonded in a 13-coordinate geometry to one Gd(1), two equivalent Y(1), one Fe(1), one Fe(10), one Fe(5), one Fe(8), two equivalent Fe(11), two equivalent Fe(2), and two equivalent Fe(9) atoms. The Fe(7)-Fe(8) bond length is 2.93 Å. In the eleventh Fe site, Fe(8) is bonded in a 13-coordinate geometry to three equivalent Y(1), one Fe(5), three equivalent Fe(10), three equivalent Fe(4), and three equivalent Fe(7) atoms.