The structure described by BaYWCuO5 crystallizes in the tetragonal P4mm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. W(1) is bonded to one O(3) and four equivalent O(1) atoms to form corner-sharing WO5 square pyramids. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1) and one W(1) atom to form a mixture of distorted corner and edge-sharing OBa4W square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaYCuWO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.037
_cell_length_b   4.037
_cell_length_c   8.003
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   130.408
_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  0.000  0.000  0.997  1.0
  Y  Y1  1  0.000  0.000  0.434  1.0
  Cu  Cu2  1  0.500  0.500  0.289  1.0
  W  W3  1  0.500  0.500  0.677  1.0
  O  O4  1  0.000  0.500  0.645  1.0
  O  O5  1  0.500  0.000  0.645  1.0
  O  O6  1  0.000  0.500  0.284  1.0
  O  O7  1  0.500  0.000  0.284  1.0
  O  O8  1  0.500  0.500  0.934  1.0
[/CIF]
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The structure described by BaYWCuO5 crystallizes in the tetragonal P4mm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. W(1) is bonded to one O(3) and four equivalent O(1) atoms to form corner-sharing WO5 square pyramids. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1) and one W(1) atom to form a mixture of distorted corner and edge-sharing OBa4W square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaYCuWO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.037
_cell_length_b   4.037
_cell_length_c   8.003
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   130.408
_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  0.000  0.000  0.997  1.0
  Y  Y1  1  0.000  0.000  0.434  1.0
  Cu  Cu2  1  0.500  0.500  0.289  1.0
  W  W3  1  0.500  0.500  0.677  1.0
  O  O4  1  0.000  0.500  0.645  1.0
  O  O5  1  0.500  0.000  0.645  1.0
  O  O6  1  0.000  0.500  0.284  1.0
  O  O7  1  0.500  0.000  0.284  1.0
  O  O8  1  0.500  0.500  0.934  1.0
[/CIF]
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