The structure described by Nb(Cu3O4)2 crystallizes in the cubic Fm-3m space group. Nb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to one Nb(1) and three equivalent Cu(1) atoms to form a mixture of corner and edge-sharing ONbCu3 tetrahedra. is represented by the CIF file [CIF]
data_Nb(Cu3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.572
_cell_length_b   6.572
_cell_length_c   6.572
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   200.681
_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
  Nb  Nb0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.500  0.000  0.000  1.0
  Cu  Cu6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.865  0.865  0.865  1.0
  O  O8  1  0.406  0.865  0.865  1.0
  O  O9  1  0.865  0.865  0.406  1.0
  O  O10  1  0.594  0.135  0.135  1.0
  O  O11  1  0.865  0.406  0.865  1.0
  O  O12  1  0.135  0.594  0.135  1.0
  O  O13  1  0.135  0.135  0.135  1.0
  O  O14  1  0.135  0.135  0.594  1.0
[/CIF]
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The structure described by Nb(Cu3O4)2 crystallizes in the cubic Fm-3m space group. Nb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to one Nb(1) and three equivalent Cu(1) atoms to form a mixture of corner and edge-sharing ONbCu3 tetrahedra. is represented by the CIF file [CIF]
data_Nb(Cu3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.572
_cell_length_b   6.572
_cell_length_c   6.572
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   200.681
_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
  Nb  Nb0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.500  0.000  0.000  1.0
  Cu  Cu6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.865  0.865  0.865  1.0
  O  O8  1  0.406  0.865  0.865  1.0
  O  O9  1  0.865  0.865  0.406  1.0
  O  O10  1  0.594  0.135  0.135  1.0
  O  O11  1  0.865  0.406  0.865  1.0
  O  O12  1  0.135  0.594  0.135  1.0
  O  O13  1  0.135  0.135  0.135  1.0
  O  O14  1  0.135  0.135  0.594  1.0
[/CIF]
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