GdSr2MnCrO7 crystallizes in the tetragonal I4mm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Gd(1) is bonded to four equivalent O(3), four equivalent O(4), and four equivalent O(5) atoms to form GdO12 cuboctahedra that share corners with four equivalent Gd(1)O12 cuboctahedra, faces with four equivalent Gd(1)O12 cuboctahedra, faces with four equivalent Cr(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. Cr(1) is bonded to one O(2), one O(5), and four equivalent O(4) atoms to form CrO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, and faces with four equivalent Gd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-13°. Mn(1) is bonded to one O(1), one O(5), and four equivalent O(3) atoms to form MnO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Gd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Sr(2), and one Mn(1) atom to form distorted OSr5Mn octahedra that share corners with four equivalent O(4)Sr2Gd2Cr2 octahedra, corners with four equivalent O(1)Sr5Mn octahedra, edges with four equivalent O(2)Sr5Cr octahedra, and edges with four equivalent O(1)Sr5Mn octahedra. The corner-sharing octahedral tilt angles range from 6-45°. In the second O site, O(2) is bonded to one Sr(2), four equivalent Sr(1), and one Cr(1) atom to form distorted OSr5Cr octahedra that share corners with four equivalent O(2)Sr5Cr octahedra, corners with eight equivalent O(4)Sr2Gd2Cr2 octahedra, edges with four equivalent O(2)Sr5Cr octahedra, edges with four equivalent O(1)Sr5Mn octahedra, and faces with four equivalent O(4)Sr2Gd2Cr2 octahedra. The corner-sharing octahedral tilt angles range from 11-56°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(2), two equivalent Gd(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Gd(1), and two equivalent Cr(1) atoms to form distorted OSr2Gd2Cr2 octahedra that share corners with two equivalent O(4)Sr2Gd2Cr2 octahedra, corners with two equivalent O(1)Sr5Mn octahedra, corners with four equivalent O(2)Sr5Cr octahedra, edges with two equivalent O(4)Sr2Gd2Cr2 octahedra, faces with two equivalent O(2)Sr5Cr octahedra, and faces with four equivalent O(4)Sr2Gd2Cr2 octahedra. The corner-sharing octahedral tilt angles range from 13-56°. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Gd(1), one Cr(1), and one Mn(1) atom.
GdSr2MnCrO7 crystallizes in the tetragonal I4mm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(4) atoms. The Sr(1)-O(1) bond length is 2.55 Å. All Sr(1)-O(2) bond lengths are 2.74 Å. All Sr(1)-O(4) bond lengths are 2.75 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. The Sr(2)-O(2) bond length is 2.44 Å. All Sr(2)-O(1) bond lengths are 2.73 Å. All Sr(2)-O(3) bond lengths are 2.70 Å. Gd(1) is bonded to four equivalent O(3), four equivalent O(4), and four equivalent O(5) atoms to form GdO12 cuboctahedra that share corners with four equivalent Gd(1)O12 cuboctahedra, faces with four equivalent Gd(1)O12 cuboctahedra, faces with four equivalent Cr(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. All Gd(1)-O(3) bond lengths are 2.72 Å. All Gd(1)-O(4) bond lengths are 2.54 Å. All Gd(1)-O(5) bond lengths are 2.73 Å. Cr(1) is bonded to one O(2), one O(5), and four equivalent O(4) atoms to form CrO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, and faces with four equivalent Gd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-13°. The Cr(1)-O(2) bond length is 2.00 Å. The Cr(1)-O(5) bond length is 2.04 Å. All Cr(1)-O(4) bond lengths are 1.94 Å. Mn(1) is bonded to one O(1), one O(5), and four equivalent O(3) atoms to form MnO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Gd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. The Mn(1)-O(1) bond length is 1.91 Å. The Mn(1)-O(5) bond length is 1.88 Å. All Mn(1)-O(3) bond lengths are 1.93 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Sr(2), and one Mn(1) atom to form distorted OSr5Mn octahedra that share corners with four equivalent O(4)Sr2Gd2Cr2 octahedra, corners with four equivalent O(1)Sr5Mn octahedra, edges with four equivalent O(2)Sr5Cr octahedra, and edges with four equivalent O(1)Sr5Mn octahedra. The corner-sharing octahedral tilt angles range from 6-45°. In the second O site, O(2) is bonded to one Sr(2), four equivalent Sr(1), and one Cr(1) atom to form distorted OSr5Cr octahedra that share corners with four equivalent O(2)Sr5Cr octahedra, corners with eight equivalent O(4)Sr2Gd2Cr2 octahedra, edges with four equivalent O(2)Sr5Cr octahedra, edges with four equivalent O(1)Sr5Mn octahedra, and faces with four equivalent O(4)Sr2Gd2Cr2 octahedra. The corner-sharing octahedral tilt angles range from 11-56°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(2), two equivalent Gd(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Gd(1), and two equivalent Cr(1) atoms to form distorted OSr2Gd2Cr2 octahedra that share corners with two equivalent O(4)Sr2Gd2Cr2 octahedra, corners with two equivalent O(1)Sr5Mn octahedra, corners with four equivalent O(2)Sr5Cr octahedra, edges with two equivalent O(4)Sr2Gd2Cr2 octahedra, faces with two equivalent O(2)Sr5Cr octahedra, and faces with four equivalent O(4)Sr2Gd2Cr2 octahedra. The corner-sharing octahedral tilt angles range from 13-56°. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Gd(1), one Cr(1), and one Mn(1) atom.