The crystal structure described by MgY2(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 two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(7) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one O(8) atom. In the fourth Cu site, Cu(4) is bonded in a distorted T-shaped geometry to one O(2), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one Y(2), one Cu(2), and one Cu(3) atom to form a mixture of distorted corner and edge-sharing OY2Cu2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Cu(1), and one Cu(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Y(1), one Y(2), and one Cu(1) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Y(1), one Y(2), and one Cu(2) atom to form distorted OY2MgCu tetrahedra that share  a cornercorner with one O(1)Y2Cu2 tetrahedra, corners with three equivalent O(5)Y2MgCu tetrahedra, and  an edgeedge with one O(1)Y2Cu2 tetrahedra. In the fifth O site, O(5) is bonded to one Mg(1), one Y(1), one Y(2), and one Cu(4) atom to form distorted OY2MgCu tetrahedra that share corners with two equivalent O(1)Y2Cu2 tetrahedra and corners with three equivalent O(4)Y2MgCu tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Y(1), one Y(2), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Cu(2), and one Cu(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Cu(1), and one Cu(3) atom. is represented by the CIF file [CIF]
data_Y2Mg(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.688
_cell_length_c   7.060
_cell_angle_alpha   113.546
_cell_angle_beta   115.897
_cell_angle_gamma   89.965
_symmetry_Int_Tables_number   1
_cell_volume   183.946
_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
  Y  Y0  1  0.877  0.132  0.751  1.0
  Y  Y1  1  0.124  0.866  0.249  1.0
  Mg  Mg2  1  0.385  0.645  0.752  1.0
  Cu  Cu3  1  0.939  0.436  0.423  1.0
  Cu  Cu4  1  0.488  0.485  0.423  1.0
  Cu  Cu5  1  0.519  0.067  0.095  1.0
  Cu  Cu6  1  0.549  0.500  0.060  1.0
  O  O7  1  0.520  0.148  0.388  1.0
  O  O8  1  0.852  0.726  0.369  1.0
  O  O9  1  0.134  0.282  0.615  1.0
  O  O10  1  0.477  0.830  0.593  1.0
  O  O11  1  0.730  0.525  0.902  1.0
  O  O12  1  0.169  0.877  0.898  1.0
  O  O13  1  0.263  0.474  0.116  1.0
  O  O14  1  0.856  0.138  0.127  1.0
[/CIF]
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The crystal structure described by MgY2(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 two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(7) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one O(8) atom. In the fourth Cu site, Cu(4) is bonded in a distorted T-shaped geometry to one O(2), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one Y(2), one Cu(2), and one Cu(3) atom to form a mixture of distorted corner and edge-sharing OY2Cu2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Cu(1), and one Cu(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Y(1), one Y(2), and one Cu(1) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Y(1), one Y(2), and one Cu(2) atom to form distorted OY2MgCu tetrahedra that share  a cornercorner with one O(1)Y2Cu2 tetrahedra, corners with three equivalent O(5)Y2MgCu tetrahedra, and  an edgeedge with one O(1)Y2Cu2 tetrahedra. In the fifth O site, O(5) is bonded to one Mg(1), one Y(1), one Y(2), and one Cu(4) atom to form distorted OY2MgCu tetrahedra that share corners with two equivalent O(1)Y2Cu2 tetrahedra and corners with three equivalent O(4)Y2MgCu tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Y(1), one Y(2), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Cu(2), and one Cu(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Cu(1), and one Cu(3) atom. is represented by the CIF file [CIF]
data_Y2Mg(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.688
_cell_length_c   7.060
_cell_angle_alpha   113.546
_cell_angle_beta   115.897
_cell_angle_gamma   89.965
_symmetry_Int_Tables_number   1
_cell_volume   183.946
_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
  Y  Y0  1  0.877  0.132  0.751  1.0
  Y  Y1  1  0.124  0.866  0.249  1.0
  Mg  Mg2  1  0.385  0.645  0.752  1.0
  Cu  Cu3  1  0.939  0.436  0.423  1.0
  Cu  Cu4  1  0.488  0.485  0.423  1.0
  Cu  Cu5  1  0.519  0.067  0.095  1.0
  Cu  Cu6  1  0.549  0.500  0.060  1.0
  O  O7  1  0.520  0.148  0.388  1.0
  O  O8  1  0.852  0.726  0.369  1.0
  O  O9  1  0.134  0.282  0.615  1.0
  O  O10  1  0.477  0.830  0.593  1.0
  O  O11  1  0.730  0.525  0.902  1.0
  O  O12  1  0.169  0.877  0.898  1.0
  O  O13  1  0.263  0.474  0.116  1.0
  O  O14  1  0.856  0.138  0.127  1.0
[/CIF]
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