The material described by Na2MgCuO2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to three equivalent Na(1), two equivalent Mg(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing ONa3Mg2Cu octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MgCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.557
_cell_length_b   8.017
_cell_length_c   7.822
_cell_angle_alpha   135.987
_cell_angle_beta   157.480
_cell_angle_gamma   59.467
_symmetry_Int_Tables_number   1
_cell_volume   88.568
_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  0.801  0.314  0.859  1.0
  Na  Na1  1  0.199  0.686  0.141  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.341  0.307  0.020  1.0
  O  O5  1  0.659  0.693  0.980  1.0
[/CIF]
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The material described by Na2MgCuO2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to three equivalent Na(1), two equivalent Mg(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing ONa3Mg2Cu octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MgCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.557
_cell_length_b   8.017
_cell_length_c   7.822
_cell_angle_alpha   135.987
_cell_angle_beta   157.480
_cell_angle_gamma   59.467
_symmetry_Int_Tables_number   1
_cell_volume   88.568
_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  0.801  0.314  0.859  1.0
  Na  Na1  1  0.199  0.686  0.141  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.341  0.307  0.020  1.0
  O  O5  1  0.659  0.693  0.980  1.0
[/CIF]
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