The compound described by MgCr4FeO8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent O(1) atoms to form MgO4 tetrahedra that share corners with twelve equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, and edges with six equivalent Cr(1)O6 octahedra. Fe(1) is bonded to four equivalent O(2) atoms to form FeO4 tetrahedra that share corners with twelve equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Cr(1) atoms to form distorted OMgCr3 trigonal pyramids that share corners with three equivalent O(1)MgCr3 trigonal pyramids, corners with nine equivalent O(2)Cr3Fe trigonal pyramids, and edges with three equivalent O(1)MgCr3 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Cr(1) and one Fe(1) atom to form distorted OCr3Fe trigonal pyramids that share corners with three equivalent O(2)Cr3Fe trigonal pyramids, corners with nine equivalent O(1)MgCr3 trigonal pyramids, and edges with three equivalent O(2)Cr3Fe trigonal pyramids. is represented by the CIF card [CIF]
data_MgCr4FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.022
_cell_length_b   6.022
_cell_length_c   6.022
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   154.413
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.124  0.625  0.625  1.0
  Cr  Cr2  1  0.625  0.124  0.625  1.0
  Cr  Cr3  1  0.625  0.625  0.124  1.0
  Cr  Cr4  1  0.625  0.625  0.625  1.0
  Fe  Fe5  1  0.250  0.250  0.250  1.0
  O  O6  1  0.409  0.864  0.864  1.0
  O  O7  1  0.864  0.409  0.864  1.0
  O  O8  1  0.864  0.864  0.409  1.0
  O  O9  1  0.864  0.864  0.864  1.0
  O  O10  1  0.839  0.387  0.387  1.0
  O  O11  1  0.387  0.839  0.387  1.0
  O  O12  1  0.387  0.387  0.839  1.0
  O  O13  1  0.387  0.387  0.387  1.0
[/CIF]
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The compound described by MgCr4FeO8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent O(1) atoms to form MgO4 tetrahedra that share corners with twelve equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, and edges with six equivalent Cr(1)O6 octahedra. Fe(1) is bonded to four equivalent O(2) atoms to form FeO4 tetrahedra that share corners with twelve equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Cr(1) atoms to form distorted OMgCr3 trigonal pyramids that share corners with three equivalent O(1)MgCr3 trigonal pyramids, corners with nine equivalent O(2)Cr3Fe trigonal pyramids, and edges with three equivalent O(1)MgCr3 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Cr(1) and one Fe(1) atom to form distorted OCr3Fe trigonal pyramids that share corners with three equivalent O(2)Cr3Fe trigonal pyramids, corners with nine equivalent O(1)MgCr3 trigonal pyramids, and edges with three equivalent O(2)Cr3Fe trigonal pyramids. is represented by the CIF card [CIF]
data_MgCr4FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.022
_cell_length_b   6.022
_cell_length_c   6.022
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   154.413
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.124  0.625  0.625  1.0
  Cr  Cr2  1  0.625  0.124  0.625  1.0
  Cr  Cr3  1  0.625  0.625  0.124  1.0
  Cr  Cr4  1  0.625  0.625  0.625  1.0
  Fe  Fe5  1  0.250  0.250  0.250  1.0
  O  O6  1  0.409  0.864  0.864  1.0
  O  O7  1  0.864  0.409  0.864  1.0
  O  O8  1  0.864  0.864  0.409  1.0
  O  O9  1  0.864  0.864  0.864  1.0
  O  O10  1  0.839  0.387  0.387  1.0
  O  O11  1  0.387  0.839  0.387  1.0
  O  O12  1  0.387  0.387  0.839  1.0
  O  O13  1  0.387  0.387  0.387  1.0
[/CIF]
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