The crystal structure described by Na2Mg(CuO2)2 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Cu(1), two equivalent O(2), and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent Na(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(2), two equivalent Na(1), one Mg(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Mg(1), one Cu(1), and one Cu(2) atom. is represented by the CIF card [CIF]
data_Na2Mg(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.680
_cell_length_b   5.606
_cell_length_c   5.724
_cell_angle_alpha   90.000
_cell_angle_beta   71.249
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   111.809
_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  0.338  0.250  0.323  1.0
  Na  Na1  1  0.712  0.750  0.577  1.0
  Mg  Mg2  1  0.677  0.250  0.644  1.0
  Cu  Cu3  1  0.996  0.250  0.009  1.0
  Cu  Cu4  1  0.987  0.750  0.026  1.0
  O  O5  1  0.866  0.482  0.267  1.0
  O  O6  1  0.127  0.480  0.746  1.0
  O  O7  1  0.866  0.018  0.267  1.0
  O  O8  1  0.127  0.020  0.746  1.0
[/CIF]
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The crystal structure described by Na2Mg(CuO2)2 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Cu(1), two equivalent O(2), and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent Na(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(2), two equivalent Na(1), one Mg(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Mg(1), one Cu(1), and one Cu(2) atom. is represented by the CIF card [CIF]
data_Na2Mg(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.680
_cell_length_b   5.606
_cell_length_c   5.724
_cell_angle_alpha   90.000
_cell_angle_beta   71.249
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   111.809
_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  0.338  0.250  0.323  1.0
  Na  Na1  1  0.712  0.750  0.577  1.0
  Mg  Mg2  1  0.677  0.250  0.644  1.0
  Cu  Cu3  1  0.996  0.250  0.009  1.0
  Cu  Cu4  1  0.987  0.750  0.026  1.0
  O  O5  1  0.866  0.482  0.267  1.0
  O  O6  1  0.127  0.480  0.746  1.0
  O  O7  1  0.866  0.018  0.267  1.0
  O  O8  1  0.127  0.020  0.746  1.0
[/CIF]
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