The crystal structure described by Ba2YW2TlO7 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(1) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. W(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing WO5 square pyramids. Tl(1) is bonded in a 6-coordinate geometry to two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one W(1), and one Tl(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Ba(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YTlW2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.038
_cell_length_b   4.219
_cell_length_c   13.134
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.751
_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  0.190  1.0
  Ba  Ba1  1  0.000  0.000  0.810  1.0
  Y  Y2  1  0.000  0.000  0.500  1.0
  Tl  Tl3  1  0.500  0.500  0.000  1.0
  W  W4  1  0.500  0.500  0.374  1.0
  W  W5  1  0.500  0.500  0.626  1.0
  O  O6  1  0.500  0.500  0.218  1.0
  O  O7  1  0.000  0.500  0.387  1.0
  O  O8  1  0.500  0.000  0.386  1.0
  O  O9  1  0.500  0.000  0.614  1.0
  O  O10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.000  0.500  0.613  1.0
  O  O12  1  0.500  0.500  0.782  1.0
[/CIF]
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The crystal structure described by Ba2YW2TlO7 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(1) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. W(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing WO5 square pyramids. Tl(1) is bonded in a 6-coordinate geometry to two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one W(1), and one Tl(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Ba(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YTlW2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.038
_cell_length_b   4.219
_cell_length_c   13.134
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.751
_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  0.190  1.0
  Ba  Ba1  1  0.000  0.000  0.810  1.0
  Y  Y2  1  0.000  0.000  0.500  1.0
  Tl  Tl3  1  0.500  0.500  0.000  1.0
  W  W4  1  0.500  0.500  0.374  1.0
  W  W5  1  0.500  0.500  0.626  1.0
  O  O6  1  0.500  0.500  0.218  1.0
  O  O7  1  0.000  0.500  0.387  1.0
  O  O8  1  0.500  0.000  0.386  1.0
  O  O9  1  0.500  0.000  0.614  1.0
  O  O10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.000  0.500  0.613  1.0
  O  O12  1  0.500  0.500  0.782  1.0
[/CIF]
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