The crystal structure described by BaIn(Cu3O4)2 crystallizes in the cubic Fm-3m space group. Ba(1) is bonded to twelve equivalent Cu(1) atoms to form BaCu12 cuboctahedra that share corners with twelve equivalent Ba(1)Cu12 cuboctahedra and edges with twenty-four equivalent O(1)InCu3 tetrahedra. Cu(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(1) atoms. In(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. O(1) is bonded to three equivalent Cu(1) and one In(1) atom to form distorted OInCu3 tetrahedra that share corners with ten equivalent O(1)InCu3 tetrahedra, edges with three equivalent Ba(1)Cu12 cuboctahedra, and edges with three equivalent O(1)InCu3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaIn(Cu3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   6.642
_cell_length_c   6.642
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   207.223
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  In  In1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.000  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.642  0.642  0.073  1.0
  O  O9  1  0.642  0.073  0.642  1.0
  O  O10  1  0.073  0.642  0.642  1.0
  O  O11  1  0.358  0.927  0.358  1.0
  O  O12  1  0.642  0.642  0.642  1.0
  O  O13  1  0.358  0.358  0.358  1.0
  O  O14  1  0.358  0.358  0.927  1.0
  O  O15  1  0.927  0.358  0.358  1.0
[/CIF]
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The crystal structure described by BaIn(Cu3O4)2 crystallizes in the cubic Fm-3m space group. Ba(1) is bonded to twelve equivalent Cu(1) atoms to form BaCu12 cuboctahedra that share corners with twelve equivalent Ba(1)Cu12 cuboctahedra and edges with twenty-four equivalent O(1)InCu3 tetrahedra. Cu(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(1) atoms. In(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. O(1) is bonded to three equivalent Cu(1) and one In(1) atom to form distorted OInCu3 tetrahedra that share corners with ten equivalent O(1)InCu3 tetrahedra, edges with three equivalent Ba(1)Cu12 cuboctahedra, and edges with three equivalent O(1)InCu3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaIn(Cu3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   6.642
_cell_length_c   6.642
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   207.223
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  In  In1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.000  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.642  0.642  0.073  1.0
  O  O9  1  0.642  0.073  0.642  1.0
  O  O10  1  0.073  0.642  0.642  1.0
  O  O11  1  0.358  0.927  0.358  1.0
  O  O12  1  0.642  0.642  0.642  1.0
  O  O13  1  0.358  0.358  0.358  1.0
  O  O14  1  0.358  0.358  0.927  1.0
  O  O15  1  0.927  0.358  0.358  1.0
[/CIF]
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