Gd3Y(FeO3)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Gd site, Gd(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Y(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(3), one Y(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Y(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Gd(3), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Gd(2), one Gd(3), one Y(1), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Gd(1), one Y(1), and two equivalent Fe(1) atoms to form distorted OGdYFe2 trigonal pyramids that share corners with two equivalent O(7)Gd2Fe2 trigonal pyramids and corners with two equivalent O(6)GdYFe2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Gd(1), one Y(1), and two equivalent Fe(2) atoms to form distorted OGdYFe2 trigonal pyramids that share corners with two equivalent O(8)Gd2Fe2 trigonal pyramids and corners with two equivalent O(5)GdYFe2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Gd(2), one Gd(3), and two equivalent Fe(1) atoms to form distorted OGd2Fe2 trigonal pyramids that share corners with two equivalent O(8)Gd2Fe2 trigonal pyramids and corners with two equivalent O(5)GdYFe2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Gd(2), one Gd(3), and two equivalent Fe(2) atoms to form distorted OGd2Fe2 trigonal pyramids that share corners with two equivalent O(7)Gd2Fe2 trigonal pyramids and corners with two equivalent O(6)GdYFe2 trigonal pyramids.
Gd3Y(FeO3)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. The Gd(1)-O(5) bond length is 2.28 Å. The Gd(1)-O(6) bond length is 2.35 Å. Both Gd(1)-O(1) bond lengths are 2.32 Å. Both Gd(1)-O(2) bond lengths are 2.55 Å. Both Gd(1)-O(3) bond lengths are 2.74 Å. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. The Gd(2)-O(7) bond length is 2.35 Å. The Gd(2)-O(8) bond length is 2.28 Å. Both Gd(2)-O(2) bond lengths are 2.74 Å. Both Gd(2)-O(3) bond lengths are 2.56 Å. Both Gd(2)-O(4) bond lengths are 2.31 Å. In the third Gd site, Gd(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. The Gd(3)-O(7) bond length is 2.27 Å. The Gd(3)-O(8) bond length is 2.35 Å. Both Gd(3)-O(1) bond lengths are 2.75 Å. Both Gd(3)-O(3) bond lengths are 2.31 Å. Both Gd(3)-O(4) bond lengths are 2.56 Å. Y(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. The Y(1)-O(5) bond length is 2.32 Å. The Y(1)-O(6) bond length is 2.25 Å. Both Y(1)-O(1) bond lengths are 2.54 Å. Both Y(1)-O(2) bond lengths are 2.30 Å. Both Y(1)-O(4) bond lengths are 2.73 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(3), one O(4), one O(5), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. The Fe(1)-O(1) bond length is 2.03 Å. The Fe(1)-O(2) bond length is 2.06 Å. The Fe(1)-O(3) bond length is 2.03 Å. The Fe(1)-O(4) bond length is 2.06 Å. The Fe(1)-O(5) bond length is 2.03 Å. The Fe(1)-O(7) bond length is 2.04 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. The Fe(2)-O(1) bond length is 2.06 Å. The Fe(2)-O(2) bond length is 2.04 Å. The Fe(2)-O(3) bond length is 2.06 Å. The Fe(2)-O(4) bond length is 2.04 Å. The Fe(2)-O(6) bond length is 2.04 Å. The Fe(2)-O(8) bond length is 2.04 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(3), one Y(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Y(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Gd(3), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Gd(2), one Gd(3), one Y(1), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Gd(1), one Y(1), and two equivalent Fe(1) atoms to form distorted OGdYFe2 trigonal pyramids that share corners with two equivalent O(7)Gd2Fe2 trigonal pyramids and corners with two equivalent O(6)GdYFe2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Gd(1), one Y(1), and two equivalent Fe(2) atoms to form distorted OGdYFe2 trigonal pyramids that share corners with two equivalent O(8)Gd2Fe2 trigonal pyramids and corners with two equivalent O(5)GdYFe2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Gd(2), one Gd(3), and two equivalent Fe(1) atoms to form distorted OGd2Fe2 trigonal pyramids that share corners with two equivalent O(8)Gd2Fe2 trigonal pyramids and corners with two equivalent O(5)GdYFe2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Gd(2), one Gd(3), and two equivalent Fe(2) atoms to form distorted OGd2Fe2 trigonal pyramids that share corners with two equivalent O(7)Gd2Fe2 trigonal pyramids and corners with two equivalent O(6)GdYFe2 trigonal pyramids.