The structure described by Mg(CuO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(7), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and one O(8) atom. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. In the fourth Cu site, Cu(4) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one Cu(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(1), and one Cu(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(1), and one Cu(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(2), and one Cu(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(2), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one Cu(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(4) atom. is represented by the CIF file [CIF]
data_Mg(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.452
_cell_length_b   7.961
_cell_length_c   7.987
_cell_angle_alpha   40.031
_cell_angle_beta   69.515
_cell_angle_gamma   69.900
_symmetry_Int_Tables_number   1
_cell_volume   207.218
_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
  Mg  Mg0  1  0.375  0.378  0.372  1.0
  Cu  Cu1  1  0.462  0.536  0.537  1.0
  Cu  Cu2  1  0.537  0.965  0.462  1.0
  Cu  Cu3  1  0.964  0.536  0.537  1.0
  Cu  Cu4  1  0.537  0.462  0.965  1.0
  O  O5  1  0.701  0.776  0.327  1.0
  O  O6  1  0.777  0.702  0.696  1.0
  O  O7  1  0.253  0.283  0.708  1.0
  O  O8  1  0.255  0.710  0.284  1.0
  O  O9  1  0.283  0.252  0.255  1.0
  O  O10  1  0.710  0.255  0.252  1.0
  O  O11  1  0.696  0.324  0.777  1.0
  O  O12  1  0.326  0.696  0.703  1.0
[/CIF]
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The structure described by Mg(CuO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(7), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and one O(8) atom. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. In the fourth Cu site, Cu(4) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one Cu(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(1), and one Cu(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(1), and one Cu(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(2), and one Cu(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(2), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one Cu(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(4) atom. is represented by the CIF file [CIF]
data_Mg(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.452
_cell_length_b   7.961
_cell_length_c   7.987
_cell_angle_alpha   40.031
_cell_angle_beta   69.515
_cell_angle_gamma   69.900
_symmetry_Int_Tables_number   1
_cell_volume   207.218
_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
  Mg  Mg0  1  0.375  0.378  0.372  1.0
  Cu  Cu1  1  0.462  0.536  0.537  1.0
  Cu  Cu2  1  0.537  0.965  0.462  1.0
  Cu  Cu3  1  0.964  0.536  0.537  1.0
  Cu  Cu4  1  0.537  0.462  0.965  1.0
  O  O5  1  0.701  0.776  0.327  1.0
  O  O6  1  0.777  0.702  0.696  1.0
  O  O7  1  0.253  0.283  0.708  1.0
  O  O8  1  0.255  0.710  0.284  1.0
  O  O9  1  0.283  0.252  0.255  1.0
  O  O10  1  0.710  0.255  0.252  1.0
  O  O11  1  0.696  0.324  0.777  1.0
  O  O12  1  0.326  0.696  0.703  1.0
[/CIF]
.