The structure described by BaYAgCuO5 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. Ag(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted AgO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O5 square pyramid and corners with four equivalent Ag(1)O5 trigonal bipyramids. Cu(1) is bonded to one O(3) and four equivalent O(2) atoms to form CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Ag(1)O5 trigonal bipyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Ag(1) atoms to form distorted OY2Ag2 tetrahedra that share corners with two equivalent O(3)Ba4CuAg octahedra, corners with four equivalent O(1)Y2Ag2 tetrahedra, and edges with four equivalent O(1)Y2Ag2 tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the second O site, O(2) is bonded in a 6-coordinate 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), one Ag(1), and one Cu(1) atom to form OBa4CuAg octahedra that share corners with four equivalent O(3)Ba4CuAg octahedra, corners with four equivalent O(1)Y2Ag2 tetrahedra, and edges with four equivalent O(3)Ba4CuAg octahedra. The corner-sharing octahedral tilt angles are 4°. is represented by the CIF file [CIF]
data_BaYCuAgO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.982
_cell_length_b   3.982
_cell_length_c   8.012
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   127.070
_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  0.500  0.500  0.999  1.0
  Y  Y1  1  0.500  0.500  0.457  1.0
  Cu  Cu2  1  0.000  0.000  0.238  1.0
  Ag  Ag3  1  0.000  0.000  0.696  1.0
  O  O4  1  0.500  0.000  0.627  1.0
  O  O5  1  0.000  0.500  0.627  1.0
  O  O6  1  0.500  0.000  0.280  1.0
  O  O7  1  0.000  0.500  0.280  1.0
  O  O8  1  0.000  0.000  0.986  1.0
[/CIF]
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The structure described by BaYAgCuO5 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. Ag(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted AgO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O5 square pyramid and corners with four equivalent Ag(1)O5 trigonal bipyramids. Cu(1) is bonded to one O(3) and four equivalent O(2) atoms to form CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Ag(1)O5 trigonal bipyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Ag(1) atoms to form distorted OY2Ag2 tetrahedra that share corners with two equivalent O(3)Ba4CuAg octahedra, corners with four equivalent O(1)Y2Ag2 tetrahedra, and edges with four equivalent O(1)Y2Ag2 tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the second O site, O(2) is bonded in a 6-coordinate 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), one Ag(1), and one Cu(1) atom to form OBa4CuAg octahedra that share corners with four equivalent O(3)Ba4CuAg octahedra, corners with four equivalent O(1)Y2Ag2 tetrahedra, and edges with four equivalent O(3)Ba4CuAg octahedra. The corner-sharing octahedral tilt angles are 4°. is represented by the CIF file [CIF]
data_BaYCuAgO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.982
_cell_length_b   3.982
_cell_length_c   8.012
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   127.070
_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  0.500  0.500  0.999  1.0
  Y  Y1  1  0.500  0.500  0.457  1.0
  Cu  Cu2  1  0.000  0.000  0.238  1.0
  Ag  Ag3  1  0.000  0.000  0.696  1.0
  O  O4  1  0.500  0.000  0.627  1.0
  O  O5  1  0.000  0.500  0.627  1.0
  O  O6  1  0.500  0.000  0.280  1.0
  O  O7  1  0.000  0.500  0.280  1.0
  O  O8  1  0.000  0.000  0.986  1.0
[/CIF]
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