The material structure described by Co2In2O7 crystallizes in the cubic Fd-3m space group. Co(1) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and edges with six equivalent In(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted InO8 hexagonal bipyramids that share edges with six equivalent In(1)O8 hexagonal bipyramids and edges with six equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent In(1) atoms to form OIn4 tetrahedra that share corners with four equivalent O(1)In4 tetrahedra, corners with twelve equivalent O(2)In2Co2 tetrahedra, and edges with six equivalent O(2)In2Co2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Co(1) and two equivalent In(1) atoms to form distorted OIn2Co2 tetrahedra that share corners with two equivalent O(1)In4 tetrahedra, corners with twelve equivalent O(2)In2Co2 tetrahedra,  an edgeedge with one O(1)In4 tetrahedra, and edges with four equivalent O(2)In2Co2 tetrahedra. is represented by the CIF card [CIF]
data_In2Co2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.874
_cell_length_b   6.874
_cell_length_c   6.874
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   229.691
_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
  In  In0  1  0.125  0.125  0.125  1.0
  In  In1  1  0.625  0.125  0.125  1.0
  In  In2  1  0.125  0.625  0.125  1.0
  In  In3  1  0.125  0.125  0.625  1.0
  Co  Co4  1  0.625  0.625  0.125  1.0
  Co  Co5  1  0.625  0.125  0.625  1.0
  Co  Co6  1  0.125  0.625  0.625  1.0
  Co  Co7  1  0.625  0.625  0.625  1.0
  O  O8  1  0.250  0.250  0.250  1.0
  O  O9  1  0.704  0.296  0.296  1.0
  O  O10  1  0.704  0.296  0.704  1.0
  O  O11  1  0.296  0.704  0.296  1.0
  O  O12  1  0.704  0.704  0.296  1.0
  O  O13  1  0.296  0.296  0.704  1.0
  O  O14  1  0.954  0.546  0.546  1.0
  O  O15  1  0.296  0.704  0.704  1.0
  O  O16  1  0.954  0.954  0.546  1.0
  O  O17  1  0.546  0.954  0.546  1.0
  O  O18  1  0.546  0.546  0.954  1.0
  O  O19  1  0.954  0.546  0.954  1.0
  O  O20  1  0.546  0.954  0.954  1.0
  O  O21  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Co2In2O7 crystallizes in the cubic Fd-3m space group. Co(1) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and edges with six equivalent In(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted InO8 hexagonal bipyramids that share edges with six equivalent In(1)O8 hexagonal bipyramids and edges with six equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent In(1) atoms to form OIn4 tetrahedra that share corners with four equivalent O(1)In4 tetrahedra, corners with twelve equivalent O(2)In2Co2 tetrahedra, and edges with six equivalent O(2)In2Co2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Co(1) and two equivalent In(1) atoms to form distorted OIn2Co2 tetrahedra that share corners with two equivalent O(1)In4 tetrahedra, corners with twelve equivalent O(2)In2Co2 tetrahedra,  an edgeedge with one O(1)In4 tetrahedra, and edges with four equivalent O(2)In2Co2 tetrahedra. is represented by the CIF card [CIF]
data_In2Co2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.874
_cell_length_b   6.874
_cell_length_c   6.874
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   229.691
_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
  In  In0  1  0.125  0.125  0.125  1.0
  In  In1  1  0.625  0.125  0.125  1.0
  In  In2  1  0.125  0.625  0.125  1.0
  In  In3  1  0.125  0.125  0.625  1.0
  Co  Co4  1  0.625  0.625  0.125  1.0
  Co  Co5  1  0.625  0.125  0.625  1.0
  Co  Co6  1  0.125  0.625  0.625  1.0
  Co  Co7  1  0.625  0.625  0.625  1.0
  O  O8  1  0.250  0.250  0.250  1.0
  O  O9  1  0.704  0.296  0.296  1.0
  O  O10  1  0.704  0.296  0.704  1.0
  O  O11  1  0.296  0.704  0.296  1.0
  O  O12  1  0.704  0.704  0.296  1.0
  O  O13  1  0.296  0.296  0.704  1.0
  O  O14  1  0.954  0.546  0.546  1.0
  O  O15  1  0.296  0.704  0.704  1.0
  O  O16  1  0.954  0.954  0.546  1.0
  O  O17  1  0.546  0.954  0.546  1.0
  O  O18  1  0.546  0.546  0.954  1.0
  O  O19  1  0.954  0.546  0.954  1.0
  O  O20  1  0.546  0.954  0.954  1.0
  O  O21  1  0.000  0.000  0.000  1.0
[/CIF]
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