The crystal structure described by MgCr2O4 is Ilmenite-like structured and crystallizes in the tetragonal P-4 space group. Mg(1) is bonded to four equivalent O(1) atoms to form distorted MgO4 trigonal pyramids that share corners with four equivalent Cr(1)O6 octahedra and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with eight equivalent Cr(1)O6 octahedra, corners with two equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Mg(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 47-48°. O(1) is bonded to one Mg(1) and three equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OMgCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_MgCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.006
_cell_length_b   5.027
_cell_length_c   5.027
_cell_angle_alpha   90.004
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   75.984
_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  0.750  0.500  0.000  1.0
  Cr  Cr1  1  0.483  0.500  0.500  1.0
  Cr  Cr2  1  0.017  0.000  0.000  1.0
  O  O3  1  0.499  0.204  0.813  1.0
  O  O4  1  0.499  0.796  0.187  1.0
  O  O5  1  0.001  0.313  0.296  1.0
  O  O6  1  0.001  0.687  0.704  1.0
[/CIF]
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The crystal structure described by MgCr2O4 is Ilmenite-like structured and crystallizes in the tetragonal P-4 space group. Mg(1) is bonded to four equivalent O(1) atoms to form distorted MgO4 trigonal pyramids that share corners with four equivalent Cr(1)O6 octahedra and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with eight equivalent Cr(1)O6 octahedra, corners with two equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Mg(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 47-48°. O(1) is bonded to one Mg(1) and three equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OMgCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_MgCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.006
_cell_length_b   5.027
_cell_length_c   5.027
_cell_angle_alpha   90.004
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   75.984
_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  0.750  0.500  0.000  1.0
  Cr  Cr1  1  0.483  0.500  0.500  1.0
  Cr  Cr2  1  0.017  0.000  0.000  1.0
  O  O3  1  0.499  0.204  0.813  1.0
  O  O4  1  0.499  0.796  0.187  1.0
  O  O5  1  0.001  0.313  0.296  1.0
  O  O6  1  0.001  0.687  0.704  1.0
[/CIF]
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