The material structure described by 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2GdMnCrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.858
_cell_length_b   3.858
_cell_length_c   10.482
_cell_angle_alpha   79.394
_cell_angle_beta   79.394
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   150.667
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.317  0.317  0.367  1.0
  Sr  Sr1  1  0.683  0.683  0.633  1.0
  Gd  Gd2  1  0.495  0.495  0.010  1.0
  Mn  Mn3  1  0.096  0.096  0.807  1.0
  Cr  Cr4  1  0.903  0.903  0.194  1.0
  O  O5  1  0.191  0.191  0.619  1.0
  O  O6  1  0.804  0.804  0.392  1.0
  O  O7  1  0.590  0.090  0.820  1.0
  O  O8  1  0.090  0.590  0.820  1.0
  O  O9  1  0.414  0.914  0.173  1.0
  O  O10  1  0.914  0.414  0.173  1.0
  O  O11  1  0.004  0.004  0.993  1.0
[/CIF]
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The material structure described by 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2GdMnCrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.858
_cell_length_b   3.858
_cell_length_c   10.482
_cell_angle_alpha   79.394
_cell_angle_beta   79.394
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   150.667
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.317  0.317  0.367  1.0
  Sr  Sr1  1  0.683  0.683  0.633  1.0
  Gd  Gd2  1  0.495  0.495  0.010  1.0
  Mn  Mn3  1  0.096  0.096  0.807  1.0
  Cr  Cr4  1  0.903  0.903  0.194  1.0
  O  O5  1  0.191  0.191  0.619  1.0
  O  O6  1  0.804  0.804  0.392  1.0
  O  O7  1  0.590  0.090  0.820  1.0
  O  O8  1  0.090  0.590  0.820  1.0
  O  O9  1  0.414  0.914  0.173  1.0
  O  O10  1  0.914  0.414  0.173  1.0
  O  O11  1  0.004  0.004  0.993  1.0
[/CIF]
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