The material described by Na2Mg(CuO2)2 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with four equivalent Mg(1)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(1), one O(4), and two equivalent O(2) atoms. Mg(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted MgO5 trigonal bipyramids that share corners with four equivalent Na(1)O4 tetrahedra,  an edgeedge with one Na(1)O4 tetrahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), two equivalent Mg(1), and two equivalent Cu(1) atoms to form distorted ONa2Mg2Cu2 octahedra that share corners with four equivalent O(3)Na2Mg2Cu2 pentagonal pyramids, corners with two equivalent O(2)Na2MgCu2 square pyramids, edges with two equivalent O(1)Na2Mg2Cu2 octahedra,  an edgeedge with one O(3)Na2Mg2Cu2 pentagonal pyramid, and edges with three equivalent O(2)Na2MgCu2 square pyramids. In the second O site, O(2) is bonded to two equivalent Na(2), one Mg(1), and two equivalent Cu(1) atoms to form distorted ONa2MgCu2 square pyramids that share corners with two equivalent O(1)Na2Mg2Cu2 octahedra, corners with two equivalent O(3)Na2Mg2Cu2 pentagonal pyramids, edges with three equivalent O(1)Na2Mg2Cu2 octahedra, and edges with two equivalent O(2)Na2MgCu2 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the third O site, O(3) is bonded to two equivalent Na(1), two equivalent Mg(1), and two equivalent Cu(2) atoms to form distorted ONa2Mg2Cu2 pentagonal pyramids that share corners with four equivalent O(1)Na2Mg2Cu2 octahedra, corners with two equivalent O(2)Na2MgCu2 square pyramids,  an edgeedge with one O(1)Na2Mg2Cu2 octahedra, and faces with two equivalent O(3)Na2Mg2Cu2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 29-75°. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Na2Mg(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.889
_cell_length_b   5.435
_cell_length_c   8.410
_cell_angle_alpha   84.042
_cell_angle_beta   90.037
_cell_angle_gamma   105.435
_symmetry_Int_Tables_number   1
_cell_volume   126.564
_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  0.613  0.229  0.371  1.0
  Na  Na1  1  0.398  0.798  0.830  1.0
  Mg  Mg2  1  0.870  0.743  0.161  1.0
  Cu  Cu3  1  0.136  0.274  0.025  1.0
  Cu  Cu4  1  0.870  0.737  0.473  1.0
  O  O5  1  0.505  0.013  0.085  1.0
  O  O6  1  0.760  0.522  0.981  1.0
  O  O7  1  0.293  0.587  0.330  1.0
  O  O8  1  0.451  0.899  0.569  1.0
[/CIF]
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The material described by Na2Mg(CuO2)2 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with four equivalent Mg(1)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(1), one O(4), and two equivalent O(2) atoms. Mg(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted MgO5 trigonal bipyramids that share corners with four equivalent Na(1)O4 tetrahedra,  an edgeedge with one Na(1)O4 tetrahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), two equivalent Mg(1), and two equivalent Cu(1) atoms to form distorted ONa2Mg2Cu2 octahedra that share corners with four equivalent O(3)Na2Mg2Cu2 pentagonal pyramids, corners with two equivalent O(2)Na2MgCu2 square pyramids, edges with two equivalent O(1)Na2Mg2Cu2 octahedra,  an edgeedge with one O(3)Na2Mg2Cu2 pentagonal pyramid, and edges with three equivalent O(2)Na2MgCu2 square pyramids. In the second O site, O(2) is bonded to two equivalent Na(2), one Mg(1), and two equivalent Cu(1) atoms to form distorted ONa2MgCu2 square pyramids that share corners with two equivalent O(1)Na2Mg2Cu2 octahedra, corners with two equivalent O(3)Na2Mg2Cu2 pentagonal pyramids, edges with three equivalent O(1)Na2Mg2Cu2 octahedra, and edges with two equivalent O(2)Na2MgCu2 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the third O site, O(3) is bonded to two equivalent Na(1), two equivalent Mg(1), and two equivalent Cu(2) atoms to form distorted ONa2Mg2Cu2 pentagonal pyramids that share corners with four equivalent O(1)Na2Mg2Cu2 octahedra, corners with two equivalent O(2)Na2MgCu2 square pyramids,  an edgeedge with one O(1)Na2Mg2Cu2 octahedra, and faces with two equivalent O(3)Na2Mg2Cu2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 29-75°. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Na2Mg(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.889
_cell_length_b   5.435
_cell_length_c   8.410
_cell_angle_alpha   84.042
_cell_angle_beta   90.037
_cell_angle_gamma   105.435
_symmetry_Int_Tables_number   1
_cell_volume   126.564
_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  0.613  0.229  0.371  1.0
  Na  Na1  1  0.398  0.798  0.830  1.0
  Mg  Mg2  1  0.870  0.743  0.161  1.0
  Cu  Cu3  1  0.136  0.274  0.025  1.0
  Cu  Cu4  1  0.870  0.737  0.473  1.0
  O  O5  1  0.505  0.013  0.085  1.0
  O  O6  1  0.760  0.522  0.981  1.0
  O  O7  1  0.293  0.587  0.330  1.0
  O  O8  1  0.451  0.899  0.569  1.0
[/CIF]
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