The crystal structure described by Na4Mg(CuO2)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing NaO6 octahedra. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted edge-sharing NaO6 octahedra. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Na(2), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing ONa3Cu2 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted pentagonal planar geometry to one Na(1), one Na(3), one Mg(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(3), two equivalent Na(2), one Mg(1), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing ONa3Cu2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Na4Mg(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.702
_cell_length_b   5.720
_cell_length_c   6.914
_cell_angle_alpha   98.005
_cell_angle_beta   83.120
_cell_angle_gamma   77.528
_symmetry_Int_Tables_number   1
_cell_volume   215.376
_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  0.500  0.000  0.500  1.0
  Na  Na1  1  0.576  0.219  0.068  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Na  Na3  1  0.424  0.781  0.932  1.0
  Mg  Mg4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.038  0.336  0.299  1.0
  Cu  Cu6  1  0.034  0.849  0.282  1.0
  Cu  Cu7  1  0.966  0.151  0.718  1.0
  Cu  Cu8  1  0.962  0.664  0.701  1.0
  O  O9  1  0.269  0.038  0.237  1.0
  O  O10  1  0.194  0.365  0.714  1.0
  O  O11  1  0.248  0.531  0.188  1.0
  O  O12  1  0.196  0.846  0.661  1.0
  O  O13  1  0.804  0.154  0.339  1.0
  O  O14  1  0.752  0.469  0.812  1.0
  O  O15  1  0.806  0.635  0.286  1.0
  O  O16  1  0.731  0.962  0.763  1.0
[/CIF]
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The crystal structure described by Na4Mg(CuO2)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing NaO6 octahedra. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted edge-sharing NaO6 octahedra. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Na(2), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing ONa3Cu2 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted pentagonal planar geometry to one Na(1), one Na(3), one Mg(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(3), two equivalent Na(2), one Mg(1), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing ONa3Cu2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Na4Mg(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.702
_cell_length_b   5.720
_cell_length_c   6.914
_cell_angle_alpha   98.005
_cell_angle_beta   83.120
_cell_angle_gamma   77.528
_symmetry_Int_Tables_number   1
_cell_volume   215.376
_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  0.500  0.000  0.500  1.0
  Na  Na1  1  0.576  0.219  0.068  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Na  Na3  1  0.424  0.781  0.932  1.0
  Mg  Mg4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.038  0.336  0.299  1.0
  Cu  Cu6  1  0.034  0.849  0.282  1.0
  Cu  Cu7  1  0.966  0.151  0.718  1.0
  Cu  Cu8  1  0.962  0.664  0.701  1.0
  O  O9  1  0.269  0.038  0.237  1.0
  O  O10  1  0.194  0.365  0.714  1.0
  O  O11  1  0.248  0.531  0.188  1.0
  O  O12  1  0.196  0.846  0.661  1.0
  O  O13  1  0.804  0.154  0.339  1.0
  O  O14  1  0.752  0.469  0.812  1.0
  O  O15  1  0.806  0.635  0.286  1.0
  O  O16  1  0.731  0.962  0.763  1.0
[/CIF]
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