The crystal structure described by GdMn2O4 is Spinel structured and crystallizes in the monoclinic C2/m space group. Gd(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form GdO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Gd(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Gd(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Gd(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Gd(1), one Mn(2), and two equivalent Mn(3) atoms to form distorted corner-sharing OGdMn3 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Gd(1), one Mn(1), and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Gd(1), one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.527
_cell_length_b   6.527
_cell_length_c   6.267
_cell_angle_alpha   61.768
_cell_angle_beta   61.768
_cell_angle_gamma   56.978
_symmetry_Int_Tables_number   1
_cell_volume   188.656
_cell_formula_units_Z   2
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
  Gd  Gd0  1  0.125  0.125  0.112  1.0
  Gd  Gd1  1  0.875  0.875  0.888  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.731  0.731  0.299  1.0
  O  O7  1  0.750  0.750  0.720  1.0
  O  O8  1  0.732  0.291  0.763  1.0
  O  O9  1  0.291  0.732  0.763  1.0
  O  O10  1  0.269  0.269  0.701  1.0
  O  O11  1  0.250  0.250  0.280  1.0
  O  O12  1  0.268  0.709  0.237  1.0
  O  O13  1  0.709  0.268  0.237  1.0
[/CIF]
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The crystal structure described by GdMn2O4 is Spinel structured and crystallizes in the monoclinic C2/m space group. Gd(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form GdO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Gd(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Gd(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Gd(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Gd(1), one Mn(2), and two equivalent Mn(3) atoms to form distorted corner-sharing OGdMn3 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Gd(1), one Mn(1), and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Gd(1), one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.527
_cell_length_b   6.527
_cell_length_c   6.267
_cell_angle_alpha   61.768
_cell_angle_beta   61.768
_cell_angle_gamma   56.978
_symmetry_Int_Tables_number   1
_cell_volume   188.656
_cell_formula_units_Z   2
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
  Gd  Gd0  1  0.125  0.125  0.112  1.0
  Gd  Gd1  1  0.875  0.875  0.888  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.731  0.731  0.299  1.0
  O  O7  1  0.750  0.750  0.720  1.0
  O  O8  1  0.732  0.291  0.763  1.0
  O  O9  1  0.291  0.732  0.763  1.0
  O  O10  1  0.269  0.269  0.701  1.0
  O  O11  1  0.250  0.250  0.280  1.0
  O  O12  1  0.268  0.709  0.237  1.0
  O  O13  1  0.709  0.268  0.237  1.0
[/CIF]
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