The material described by Na2Cu3O4 crystallizes in the orthorhombic Immm space group. Na(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a 6-coordinate geometry to three equivalent Na(1), one Cu(2), and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Na2Cu3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.130
_cell_length_b   7.130
_cell_length_c   7.130
_cell_angle_alpha   156.030
_cell_angle_beta   135.718
_cell_angle_gamma   50.974
_symmetry_Int_Tables_number   1
_cell_volume   102.426
_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
  Na  Na0  1  0.297  0.297  0.000  1.0
  Na  Na1  1  0.703  0.703  0.000  1.0
  Cu  Cu2  1  0.897  0.397  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.103  0.603  0.500  1.0
  O  O5  1  0.873  0.112  0.761  1.0
  O  O6  1  0.351  0.112  0.239  1.0
  O  O7  1  0.127  0.888  0.239  1.0
  O  O8  1  0.649  0.888  0.761  1.0
[/CIF]
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The material described by Na2Cu3O4 crystallizes in the orthorhombic Immm space group. Na(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a 6-coordinate geometry to three equivalent Na(1), one Cu(2), and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Na2Cu3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.130
_cell_length_b   7.130
_cell_length_c   7.130
_cell_angle_alpha   156.030
_cell_angle_beta   135.718
_cell_angle_gamma   50.974
_symmetry_Int_Tables_number   1
_cell_volume   102.426
_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
  Na  Na0  1  0.297  0.297  0.000  1.0
  Na  Na1  1  0.703  0.703  0.000  1.0
  Cu  Cu2  1  0.897  0.397  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.103  0.603  0.500  1.0
  O  O5  1  0.873  0.112  0.761  1.0
  O  O6  1  0.351  0.112  0.239  1.0
  O  O7  1  0.127  0.888  0.239  1.0
  O  O8  1  0.649  0.888  0.761  1.0
[/CIF]
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