The structure described by Na2MgCuO2 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. Cu(1) is bonded in a distorted water-like geometry to two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Na(2), one Mg(1), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent Mg(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Mg2 octahedra. The corner-sharing octahedral tilt angles are 36°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MgCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.505
_cell_length_b   6.575
_cell_length_c   5.817
_cell_angle_alpha   135.281
_cell_angle_beta   151.260
_cell_angle_gamma   50.923
_symmetry_Int_Tables_number   1
_cell_volume   84.167
_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  0.756  0.353  0.658  1.0
  Na  Na1  1  0.284  0.880  0.549  1.0
  Mg  Mg2  1  0.254  0.788  0.942  1.0
  Cu  Cu3  1  0.783  0.289  0.136  1.0
  O  O4  1  0.264  0.476  0.951  1.0
  O  O5  1  0.767  0.809  0.263  1.0
[/CIF]
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The structure described by Na2MgCuO2 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. Cu(1) is bonded in a distorted water-like geometry to two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Na(2), one Mg(1), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent Mg(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Mg2 octahedra. The corner-sharing octahedral tilt angles are 36°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MgCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.505
_cell_length_b   6.575
_cell_length_c   5.817
_cell_angle_alpha   135.281
_cell_angle_beta   151.260
_cell_angle_gamma   50.923
_symmetry_Int_Tables_number   1
_cell_volume   84.167
_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  0.756  0.353  0.658  1.0
  Na  Na1  1  0.284  0.880  0.549  1.0
  Mg  Mg2  1  0.254  0.788  0.942  1.0
  Cu  Cu3  1  0.783  0.289  0.136  1.0
  O  O4  1  0.264  0.476  0.951  1.0
  O  O5  1  0.767  0.809  0.263  1.0
[/CIF]
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