The crystal structure described by BaMgYCu2O5 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 3-coordinate geometry to three equivalent O(3) and four equivalent O(2) atoms. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Y(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted corner-sharing YO6 pentagonal pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Y(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one Y(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Cu(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_BaYMgCu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.457
_cell_length_b   4.467
_cell_length_c   8.184
_cell_angle_alpha   93.520
_cell_angle_beta   93.423
_cell_angle_gamma   82.979
_symmetry_Int_Tables_number   1
_cell_volume   161.221
_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
  Ba  Ba0  1  0.115  0.115  0.064  1.0
  Y  Y1  1  0.856  0.857  0.509  1.0
  Mg  Mg2  1  0.396  0.396  0.431  1.0
  Cu  Cu3  1  0.544  0.543  0.763  1.0
  Cu  Cu4  1  0.662  0.662  0.167  1.0
  O  O5  1  0.795  0.357  0.584  1.0
  O  O6  1  0.357  0.794  0.585  1.0
  O  O7  1  0.053  0.578  0.287  1.0
  O  O8  1  0.577  0.053  0.287  1.0
  O  O9  1  0.495  0.495  0.977  1.0
[/CIF]
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The crystal structure described by BaMgYCu2O5 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 3-coordinate geometry to three equivalent O(3) and four equivalent O(2) atoms. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Y(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted corner-sharing YO6 pentagonal pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Y(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one Y(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Cu(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_BaYMgCu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.457
_cell_length_b   4.467
_cell_length_c   8.184
_cell_angle_alpha   93.520
_cell_angle_beta   93.423
_cell_angle_gamma   82.979
_symmetry_Int_Tables_number   1
_cell_volume   161.221
_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
  Ba  Ba0  1  0.115  0.115  0.064  1.0
  Y  Y1  1  0.856  0.857  0.509  1.0
  Mg  Mg2  1  0.396  0.396  0.431  1.0
  Cu  Cu3  1  0.544  0.543  0.763  1.0
  Cu  Cu4  1  0.662  0.662  0.167  1.0
  O  O5  1  0.795  0.357  0.584  1.0
  O  O6  1  0.357  0.794  0.585  1.0
  O  O7  1  0.053  0.578  0.287  1.0
  O  O8  1  0.577  0.053  0.287  1.0
  O  O9  1  0.495  0.495  0.977  1.0
[/CIF]
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