The material structure described by BaGdCrO6Fe crystallizes in the cubic F-43m space group. The structure consists of four 7439-89-6 atoms inside a BaGdCrO6 framework. In the BaGdCrO6 framework, Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Gd(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. Gd(1) is bonded to six equivalent O(1) atoms to form GdO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Gd(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), one Gd(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaGdCrFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.862
_cell_length_b   5.862
_cell_length_c   5.862
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   142.430
_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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Gd  Gd1  1  0.500  0.500  0.500  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.250  0.250  0.250  1.0
  O  O4  1  0.760  0.240  0.240  1.0
  O  O5  1  0.240  0.760  0.760  1.0
  O  O6  1  0.760  0.240  0.760  1.0
  O  O7  1  0.240  0.760  0.240  1.0
  O  O8  1  0.760  0.760  0.240  1.0
  O  O9  1  0.240  0.240  0.760  1.0
[/CIF]
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The material structure described by BaGdCrO6Fe crystallizes in the cubic F-43m space group. The structure consists of four 7439-89-6 atoms inside a BaGdCrO6 framework. In the BaGdCrO6 framework, Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Gd(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. Gd(1) is bonded to six equivalent O(1) atoms to form GdO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Gd(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), one Gd(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaGdCrFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.862
_cell_length_b   5.862
_cell_length_c   5.862
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   142.430
_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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Gd  Gd1  1  0.500  0.500  0.500  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.250  0.250  0.250  1.0
  O  O4  1  0.760  0.240  0.240  1.0
  O  O5  1  0.240  0.760  0.760  1.0
  O  O6  1  0.760  0.240  0.760  1.0
  O  O7  1  0.240  0.760  0.240  1.0
  O  O8  1  0.760  0.760  0.240  1.0
  O  O9  1  0.240  0.240  0.760  1.0
[/CIF]
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