The material described by Na3CuO2 crystallizes in the orthorhombic Ibam space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing NaO4 tetrahedra. In the second Na site, Na(2) is bonded to four equivalent O(1) atoms to form a mixture of edge and corner-sharing NaO4 tetrahedra. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded in a 7-coordinate geometry to two equivalent Na(2), four equivalent Na(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3CuO2
_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   132.582
_cell_angle_beta   126.155
_cell_angle_gamma   74.536
_symmetry_Int_Tables_number   1
_cell_volume   169.808
_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  0.487  0.237  0.250  1.0
  Na  Na1  1  0.750  0.500  0.250  1.0
  Na  Na2  1  0.250  0.500  0.750  1.0
  Na  Na3  1  0.987  0.237  0.750  1.0
  Na  Na4  1  0.513  0.763  0.750  1.0
  Na  Na5  1  0.013  0.763  0.250  1.0
  Cu  Cu6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.376  0.126  0.751  1.0
  O  O9  1  0.876  0.625  0.749  1.0
  O  O10  1  0.124  0.375  0.251  1.0
  O  O11  1  0.624  0.874  0.249  1.0
[/CIF]
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The material described by Na3CuO2 crystallizes in the orthorhombic Ibam space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing NaO4 tetrahedra. In the second Na site, Na(2) is bonded to four equivalent O(1) atoms to form a mixture of edge and corner-sharing NaO4 tetrahedra. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded in a 7-coordinate geometry to two equivalent Na(2), four equivalent Na(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3CuO2
_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   132.582
_cell_angle_beta   126.155
_cell_angle_gamma   74.536
_symmetry_Int_Tables_number   1
_cell_volume   169.808
_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  0.487  0.237  0.250  1.0
  Na  Na1  1  0.750  0.500  0.250  1.0
  Na  Na2  1  0.250  0.500  0.750  1.0
  Na  Na3  1  0.987  0.237  0.750  1.0
  Na  Na4  1  0.513  0.763  0.750  1.0
  Na  Na5  1  0.013  0.763  0.250  1.0
  Cu  Cu6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.376  0.126  0.751  1.0
  O  O9  1  0.876  0.625  0.749  1.0
  O  O10  1  0.124  0.375  0.251  1.0
  O  O11  1  0.624  0.874  0.249  1.0
[/CIF]
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