The material structure described by Na2Mg(CuO2)2 crystallizes in the monoclinic C2/m space group. Na(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted edge-sharing NaO6 pentagonal pyramids. Mg(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. Cu(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1), two equivalent Mg(1), and one Cu(1) atom to form distorted ONa3Mg2Cu octahedra that share corners with two equivalent O(1)Na3Mg2Cu octahedra, corners with eight equivalent O(2)Na3Cu2 trigonal bipyramids, edges with five equivalent O(1)Na3Mg2Cu octahedra, and  a faceface with one O(2)Na3Cu2 trigonal bipyramid. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to three equivalent Na(1) and two equivalent Cu(1) atoms to form distorted ONa3Cu2 trigonal bipyramids that share corners with eight equivalent O(1)Na3Mg2Cu octahedra, corners with two equivalent O(2)Na3Cu2 trigonal bipyramids, edges with three equivalent O(2)Na3Cu2 trigonal bipyramids, and  a faceface with one O(1)Na3Mg2Cu octahedra. The corner-sharing octahedral tilt angles range from 19-82°. is represented by the CIF file [CIF]
data_Na2Mg(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.195
_cell_length_b   6.728
_cell_length_c   5.911
_cell_angle_alpha   100.406
_cell_angle_beta   74.319
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.185
_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  0.268  0.246  0.464  1.0
  Na  Na1  1  0.732  0.754  0.536  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.994  0.180  0.011  1.0
  Cu  Cu4  1  0.006  0.820  0.989  1.0
  O  O5  1  0.893  0.433  0.213  1.0
  O  O6  1  0.107  0.567  0.787  1.0
  O  O7  1  0.872  0.012  0.255  1.0
  O  O8  1  0.128  0.988  0.745  1.0
[/CIF]
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The material structure described by Na2Mg(CuO2)2 crystallizes in the monoclinic C2/m space group. Na(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted edge-sharing NaO6 pentagonal pyramids. Mg(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. Cu(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1), two equivalent Mg(1), and one Cu(1) atom to form distorted ONa3Mg2Cu octahedra that share corners with two equivalent O(1)Na3Mg2Cu octahedra, corners with eight equivalent O(2)Na3Cu2 trigonal bipyramids, edges with five equivalent O(1)Na3Mg2Cu octahedra, and  a faceface with one O(2)Na3Cu2 trigonal bipyramid. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to three equivalent Na(1) and two equivalent Cu(1) atoms to form distorted ONa3Cu2 trigonal bipyramids that share corners with eight equivalent O(1)Na3Mg2Cu octahedra, corners with two equivalent O(2)Na3Cu2 trigonal bipyramids, edges with three equivalent O(2)Na3Cu2 trigonal bipyramids, and  a faceface with one O(1)Na3Mg2Cu octahedra. The corner-sharing octahedral tilt angles range from 19-82°. is represented by the CIF file [CIF]
data_Na2Mg(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.195
_cell_length_b   6.728
_cell_length_c   5.911
_cell_angle_alpha   100.406
_cell_angle_beta   74.319
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.185
_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  0.268  0.246  0.464  1.0
  Na  Na1  1  0.732  0.754  0.536  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.994  0.180  0.011  1.0
  Cu  Cu4  1  0.006  0.820  0.989  1.0
  O  O5  1  0.893  0.433  0.213  1.0
  O  O6  1  0.107  0.567  0.787  1.0
  O  O7  1  0.872  0.012  0.255  1.0
  O  O8  1  0.128  0.988  0.745  1.0
[/CIF]
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