The material described by Na3CuO2 crystallizes in the trigonal R-3c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent Cu(1) and four equivalent O(1) atoms. Cu(1) is bonded in a linear geometry to six equivalent Na(1) and two equivalent O(1) atoms. O(1) is bonded in a 7-coordinate geometry to six 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   6.012
_cell_length_b   6.012
_cell_length_c   6.012
_cell_angle_alpha   68.069
_cell_angle_beta   68.069
_cell_angle_gamma   68.069
_symmetry_Int_Tables_number   1
_cell_volume   179.919
_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  0.991  0.250  0.509  1.0
  Na  Na1  1  0.491  0.009  0.750  1.0
  Na  Na2  1  0.750  0.491  0.009  1.0
  Na  Na3  1  0.250  0.509  0.991  1.0
  Na  Na4  1  0.509  0.991  0.250  1.0
  Na  Na5  1  0.009  0.750  0.491  1.0
  Cu  Cu6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.369  0.369  0.369  1.0
  O  O9  1  0.869  0.869  0.869  1.0
  O  O10  1  0.631  0.631  0.631  1.0
  O  O11  1  0.131  0.131  0.131  1.0
[/CIF]
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The material described by Na3CuO2 crystallizes in the trigonal R-3c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent Cu(1) and four equivalent O(1) atoms. Cu(1) is bonded in a linear geometry to six equivalent Na(1) and two equivalent O(1) atoms. O(1) is bonded in a 7-coordinate geometry to six 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   6.012
_cell_length_b   6.012
_cell_length_c   6.012
_cell_angle_alpha   68.069
_cell_angle_beta   68.069
_cell_angle_gamma   68.069
_symmetry_Int_Tables_number   1
_cell_volume   179.919
_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  0.991  0.250  0.509  1.0
  Na  Na1  1  0.491  0.009  0.750  1.0
  Na  Na2  1  0.750  0.491  0.009  1.0
  Na  Na3  1  0.250  0.509  0.991  1.0
  Na  Na4  1  0.509  0.991  0.250  1.0
  Na  Na5  1  0.009  0.750  0.491  1.0
  Cu  Cu6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.369  0.369  0.369  1.0
  O  O9  1  0.869  0.869  0.869  1.0
  O  O10  1  0.631  0.631  0.631  1.0
  O  O11  1  0.131  0.131  0.131  1.0
[/CIF]
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