The material described by Ba2YAg3O8 crystallizes in the tetragonal P4/mmm 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 eight equivalent O(1) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted AgO5 square pyramids that share  a cornercorner with one Ag(2)O6 octahedra and corners with four equivalent Ag(1)O5 square pyramids. The corner-sharing octahedra are not tilted. In the second Ag site, Ag(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form AgO6 octahedra that share corners with four equivalent Ag(2)O6 octahedra and corners with two equivalent Ag(1)O5 square pyramids. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Ag(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Ag(2) atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the third O site, O(3) is bonded to four equivalent Ba(1), one Ag(1), and one Ag(2) atom to form a mixture of corner, edge, and face-sharing OBa4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. is represented by the CIF file [CIF]
data_Ba2YAg3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.115
_cell_length_b   4.115
_cell_length_c   12.544
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.416
_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  0.157  1.0
  Ba  Ba1  1  0.500  0.500  0.842  1.0
  Y  Y2  1  0.500  0.500  0.500  1.0
  Ag  Ag3  1  0.000  0.000  0.356  1.0
  Ag  Ag4  1  1.000  0.000  0.000  1.0
  Ag  Ag5  1  0.000  0.000  0.644  1.0
  O  O6  1  0.000  0.500  0.392  1.0
  O  O7  1  0.500  1.000  0.392  1.0
  O  O8  1  0.500  0.000  1.000  1.0
  O  O9  1  0.000  0.000  0.166  1.0
  O  O10  1  0.000  0.500  0.608  1.0
  O  O11  1  0.500  0.000  0.608  1.0
  O  O12  1  0.000  1.000  0.834  1.0
  O  O13  1  0.000  0.500  1.000  1.0
[/CIF]
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The material described by Ba2YAg3O8 crystallizes in the tetragonal P4/mmm 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 eight equivalent O(1) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted AgO5 square pyramids that share  a cornercorner with one Ag(2)O6 octahedra and corners with four equivalent Ag(1)O5 square pyramids. The corner-sharing octahedra are not tilted. In the second Ag site, Ag(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form AgO6 octahedra that share corners with four equivalent Ag(2)O6 octahedra and corners with two equivalent Ag(1)O5 square pyramids. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Ag(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Ag(2) atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the third O site, O(3) is bonded to four equivalent Ba(1), one Ag(1), and one Ag(2) atom to form a mixture of corner, edge, and face-sharing OBa4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. is represented by the CIF file [CIF]
data_Ba2YAg3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.115
_cell_length_b   4.115
_cell_length_c   12.544
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.416
_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  0.157  1.0
  Ba  Ba1  1  0.500  0.500  0.842  1.0
  Y  Y2  1  0.500  0.500  0.500  1.0
  Ag  Ag3  1  0.000  0.000  0.356  1.0
  Ag  Ag4  1  1.000  0.000  0.000  1.0
  Ag  Ag5  1  0.000  0.000  0.644  1.0
  O  O6  1  0.000  0.500  0.392  1.0
  O  O7  1  0.500  1.000  0.392  1.0
  O  O8  1  0.500  0.000  1.000  1.0
  O  O9  1  0.000  0.000  0.166  1.0
  O  O10  1  0.000  0.500  0.608  1.0
  O  O11  1  0.500  0.000  0.608  1.0
  O  O12  1  0.000  1.000  0.834  1.0
  O  O13  1  0.000  0.500  1.000  1.0
[/CIF]
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