The crystal structure described by NaCu3O2 crystallizes in the orthorhombic Ibam space group. Na(1) is bonded to four equivalent O(1) atoms to form distorted edge-sharing NaO4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Cu(1), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_NaCu3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.552
_cell_length_b   6.280
_cell_length_c   5.958
_cell_angle_alpha   61.684
_cell_angle_beta   90.000
_cell_angle_gamma   63.765
_symmetry_Int_Tables_number   1
_cell_volume   158.144
_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
  Na  Na0  1  0.750  0.000  0.500  1.0
  Na  Na1  1  0.250  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Cu  Cu6  1  0.000  0.500  0.500  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.381  0.238  0.136  1.0
  O  O9  1  0.881  0.238  0.626  1.0
  O  O10  1  0.119  0.762  0.374  1.0
  O  O11  1  0.619  0.762  0.864  1.0
[/CIF]
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The crystal structure described by NaCu3O2 crystallizes in the orthorhombic Ibam space group. Na(1) is bonded to four equivalent O(1) atoms to form distorted edge-sharing NaO4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Cu(1), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_NaCu3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.552
_cell_length_b   6.280
_cell_length_c   5.958
_cell_angle_alpha   61.684
_cell_angle_beta   90.000
_cell_angle_gamma   63.765
_symmetry_Int_Tables_number   1
_cell_volume   158.144
_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
  Na  Na0  1  0.750  0.000  0.500  1.0
  Na  Na1  1  0.250  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Cu  Cu6  1  0.000  0.500  0.500  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.381  0.238  0.136  1.0
  O  O9  1  0.881  0.238  0.626  1.0
  O  O10  1  0.119  0.762  0.374  1.0
  O  O11  1  0.619  0.762  0.864  1.0
[/CIF]
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