The compound described by CoCr2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra and edges with six equivalent Cr(1)O6 octahedra. Co(1) is bonded to four equivalent O(1) atoms to form CoO4 tetrahedra that share corners with twelve equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. O(1) is bonded to three equivalent Cr(1) and one Co(1) atom to form a mixture of distorted corner and edge-sharing OCr3Co trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.902
_cell_length_b   5.902
_cell_length_c   5.902
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   145.386
_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
  Cr  Cr0  1  0.500  1.000  0.500  1.0
  Cr  Cr1  1  1.000  0.500  0.500  1.0
  Cr  Cr2  1  0.500  0.500  0.000  1.0
  Cr  Cr3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.125  0.125  0.125  1.0
  Co  Co5  1  0.875  0.875  0.875  1.0
  O  O6  1  0.739  0.739  0.739  1.0
  O  O7  1  0.261  0.261  0.716  1.0
  O  O8  1  0.261  0.716  0.261  1.0
  O  O9  1  0.716  0.261  0.261  1.0
  O  O10  1  0.739  0.284  0.739  1.0
  O  O11  1  0.284  0.739  0.739  1.0
  O  O12  1  0.261  0.261  0.261  1.0
  O  O13  1  0.739  0.739  0.284  1.0
[/CIF]
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The compound described by CoCr2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra and edges with six equivalent Cr(1)O6 octahedra. Co(1) is bonded to four equivalent O(1) atoms to form CoO4 tetrahedra that share corners with twelve equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. O(1) is bonded to three equivalent Cr(1) and one Co(1) atom to form a mixture of distorted corner and edge-sharing OCr3Co trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.902
_cell_length_b   5.902
_cell_length_c   5.902
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   145.386
_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
  Cr  Cr0  1  0.500  1.000  0.500  1.0
  Cr  Cr1  1  1.000  0.500  0.500  1.0
  Cr  Cr2  1  0.500  0.500  0.000  1.0
  Cr  Cr3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.125  0.125  0.125  1.0
  Co  Co5  1  0.875  0.875  0.875  1.0
  O  O6  1  0.739  0.739  0.739  1.0
  O  O7  1  0.261  0.261  0.716  1.0
  O  O8  1  0.261  0.716  0.261  1.0
  O  O9  1  0.716  0.261  0.261  1.0
  O  O10  1  0.739  0.284  0.739  1.0
  O  O11  1  0.284  0.739  0.739  1.0
  O  O12  1  0.261  0.261  0.261  1.0
  O  O13  1  0.739  0.739  0.284  1.0
[/CIF]
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