The material structure described by MgDy2(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 Dy sites. In the first Dy site, Dy(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 Dy site, Dy(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(4), 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(3), and one O(7) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(2), one O(6), and one O(7) atom. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Dy(1), one Dy(2), one Cu(2), and one Cu(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Dy(1), one Dy(2), one Cu(1), and one Cu(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Dy(1), one Dy(2), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Dy(1), one Dy(2), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Dy(1), one Dy(2), and one Cu(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Dy(1), one Dy(2), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Dy(1), one Dy(2), one Cu(2), and one Cu(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Dy(1), one Dy(2), one Cu(1), and one Cu(4) atom. is represented by the CIF card [CIF]
data_Dy2Mg(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.668
_cell_length_b   5.666
_cell_length_c   6.968
_cell_angle_alpha   113.937
_cell_angle_beta   114.043
_cell_angle_gamma   89.939
_symmetry_Int_Tables_number   1
_cell_volume   183.136
_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
  Dy  Dy0  1  0.875  0.125  0.750  1.0
  Dy  Dy1  1  0.125  0.875  0.250  1.0
  Mg  Mg2  1  0.626  0.375  0.250  1.0
  Cu  Cu3  1  0.484  0.936  0.920  1.0
  Cu  Cu4  1  0.436  0.485  0.921  1.0
  Cu  Cu5  1  0.065  0.564  0.580  1.0
  Cu  Cu6  1  0.515  0.515  0.579  1.0
  O  O7  1  0.735  0.520  0.880  1.0
  O  O8  1  0.145  0.860  0.881  1.0
  O  O9  1  0.269  0.476  0.099  1.0
  O  O10  1  0.830  0.122  0.099  1.0
  O  O11  1  0.524  0.170  0.401  1.0
  O  O12  1  0.877  0.731  0.401  1.0
  O  O13  1  0.140  0.264  0.620  1.0
  O  O14  1  0.480  0.855  0.619  1.0
[/CIF]
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The material structure described by MgDy2(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 Dy sites. In the first Dy site, Dy(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 Dy site, Dy(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(4), 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(3), and one O(7) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(2), one O(6), and one O(7) atom. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Dy(1), one Dy(2), one Cu(2), and one Cu(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Dy(1), one Dy(2), one Cu(1), and one Cu(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Dy(1), one Dy(2), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Dy(1), one Dy(2), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Dy(1), one Dy(2), and one Cu(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Dy(1), one Dy(2), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Dy(1), one Dy(2), one Cu(2), and one Cu(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Dy(1), one Dy(2), one Cu(1), and one Cu(4) atom. is represented by the CIF card [CIF]
data_Dy2Mg(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.668
_cell_length_b   5.666
_cell_length_c   6.968
_cell_angle_alpha   113.937
_cell_angle_beta   114.043
_cell_angle_gamma   89.939
_symmetry_Int_Tables_number   1
_cell_volume   183.136
_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
  Dy  Dy0  1  0.875  0.125  0.750  1.0
  Dy  Dy1  1  0.125  0.875  0.250  1.0
  Mg  Mg2  1  0.626  0.375  0.250  1.0
  Cu  Cu3  1  0.484  0.936  0.920  1.0
  Cu  Cu4  1  0.436  0.485  0.921  1.0
  Cu  Cu5  1  0.065  0.564  0.580  1.0
  Cu  Cu6  1  0.515  0.515  0.579  1.0
  O  O7  1  0.735  0.520  0.880  1.0
  O  O8  1  0.145  0.860  0.881  1.0
  O  O9  1  0.269  0.476  0.099  1.0
  O  O10  1  0.830  0.122  0.099  1.0
  O  O11  1  0.524  0.170  0.401  1.0
  O  O12  1  0.877  0.731  0.401  1.0
  O  O13  1  0.140  0.264  0.620  1.0
  O  O14  1  0.480  0.855  0.619  1.0
[/CIF]
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