The compound described by CoAl2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Co(1) is bonded to four equivalent O(1) atoms to form CoO4 tetrahedra that share corners with twelve equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra and edges with six equivalent Al(1)O6 octahedra. O(1) is bonded to one Co(1) and three equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OAl3Co tetrahedra. is represented by the CIF file [CIF]
data_Al2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.714
_cell_length_b   5.714
_cell_length_c   5.714
_cell_angle_alpha   59.999
_cell_angle_beta   59.999
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   131.898
_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
  Al  Al0  1  0.125  0.625  0.625  1.0
  Al  Al1  1  0.625  0.625  0.125  1.0
  Al  Al2  1  0.625  0.125  0.625  1.0
  Al  Al3  1  0.625  0.625  0.625  1.0
  Co  Co4  1  0.000  0.000  1.000  1.0
  Co  Co5  1  0.250  0.250  0.250  1.0
  O  O6  1  0.832  0.389  0.389  1.0
  O  O7  1  0.861  0.861  0.861  1.0
  O  O8  1  0.389  0.832  0.389  1.0
  O  O9  1  0.389  0.389  0.832  1.0
  O  O10  1  0.861  0.861  0.418  1.0
  O  O11  1  0.861  0.418  0.861  1.0
  O  O12  1  0.389  0.389  0.389  1.0
  O  O13  1  0.418  0.861  0.861  1.0
[/CIF]
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The compound described by CoAl2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Co(1) is bonded to four equivalent O(1) atoms to form CoO4 tetrahedra that share corners with twelve equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra and edges with six equivalent Al(1)O6 octahedra. O(1) is bonded to one Co(1) and three equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OAl3Co tetrahedra. is represented by the CIF file [CIF]
data_Al2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.714
_cell_length_b   5.714
_cell_length_c   5.714
_cell_angle_alpha   59.999
_cell_angle_beta   59.999
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   131.898
_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
  Al  Al0  1  0.125  0.625  0.625  1.0
  Al  Al1  1  0.625  0.625  0.125  1.0
  Al  Al2  1  0.625  0.125  0.625  1.0
  Al  Al3  1  0.625  0.625  0.625  1.0
  Co  Co4  1  0.000  0.000  1.000  1.0
  Co  Co5  1  0.250  0.250  0.250  1.0
  O  O6  1  0.832  0.389  0.389  1.0
  O  O7  1  0.861  0.861  0.861  1.0
  O  O8  1  0.389  0.832  0.389  1.0
  O  O9  1  0.389  0.389  0.832  1.0
  O  O10  1  0.861  0.861  0.418  1.0
  O  O11  1  0.861  0.418  0.861  1.0
  O  O12  1  0.389  0.389  0.389  1.0
  O  O13  1  0.418  0.861  0.861  1.0
[/CIF]
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