The structure described by BaMgYCu2O5 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 9-coordinate geometry to one Cu(1), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(2) atoms. Y(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one Ba(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Y(1), and two equivalent Cu(1) atoms to form a mixture of face, corner, and edge-sharing OYMg2Cu2 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Y(1), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OYMg2Cu2 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Mg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaYMgCu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.966
_cell_length_b   3.970
_cell_length_c   9.748
_cell_angle_alpha   106.273
_cell_angle_beta   105.932
_cell_angle_gamma   88.813
_symmetry_Int_Tables_number   1
_cell_volume   141.428
_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  0.822  0.829  0.021  1.0
  Y  Y1  1  0.088  0.097  0.415  1.0
  Mg  Mg2  1  0.121  0.113  0.737  1.0
  Cu  Cu3  1  0.586  0.577  0.647  1.0
  Cu  Cu4  1  0.489  0.497  0.267  1.0
  O  O5  1  0.078  0.547  0.641  1.0
  O  O6  1  0.555  0.068  0.639  1.0
  O  O7  1  0.003  0.509  0.288  1.0
  O  O8  1  0.502  0.011  0.288  1.0
  O  O9  1  0.255  0.252  0.953  1.0
[/CIF]
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The structure described by BaMgYCu2O5 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 9-coordinate geometry to one Cu(1), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(2) atoms. Y(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one Ba(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Y(1), and two equivalent Cu(1) atoms to form a mixture of face, corner, and edge-sharing OYMg2Cu2 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Y(1), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OYMg2Cu2 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Mg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaYMgCu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.966
_cell_length_b   3.970
_cell_length_c   9.748
_cell_angle_alpha   106.273
_cell_angle_beta   105.932
_cell_angle_gamma   88.813
_symmetry_Int_Tables_number   1
_cell_volume   141.428
_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  0.822  0.829  0.021  1.0
  Y  Y1  1  0.088  0.097  0.415  1.0
  Mg  Mg2  1  0.121  0.113  0.737  1.0
  Cu  Cu3  1  0.586  0.577  0.647  1.0
  Cu  Cu4  1  0.489  0.497  0.267  1.0
  O  O5  1  0.078  0.547  0.641  1.0
  O  O6  1  0.555  0.068  0.639  1.0
  O  O7  1  0.003  0.509  0.288  1.0
  O  O8  1  0.502  0.011  0.288  1.0
  O  O9  1  0.255  0.252  0.953  1.0
[/CIF]
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