The structure described by PbTa2O6 crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 21-38°. Pb(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(4), and four equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ta(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ta(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ta(1) and one Pb(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Ta(1) and one Pb(1) atom. is represented by the CIF file [CIF]
data_Ta2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.706
_cell_length_b   7.662
_cell_length_c   11.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   484.189
_cell_formula_units_Z   4
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
  Ta  Ta0  1  0.035  0.503  0.143  1.0
  Ta  Ta1  1  0.035  0.997  0.143  1.0
  Ta  Ta2  1  0.535  0.003  0.357  1.0
  Ta  Ta3  1  0.535  0.497  0.357  1.0
  Ta  Ta4  1  0.465  0.503  0.643  1.0
  Ta  Ta5  1  0.465  0.997  0.643  1.0
  Ta  Ta6  1  0.965  0.003  0.857  1.0
  Ta  Ta7  1  0.965  0.497  0.857  1.0
  Pb  Pb8  1  0.535  0.250  0.036  1.0
  Pb  Pb9  1  0.035  0.750  0.464  1.0
  Pb  Pb10  1  0.965  0.250  0.536  1.0
  Pb  Pb11  1  0.465  0.750  0.964  1.0
  O  O12  1  0.785  0.534  0.023  1.0
  O  O13  1  0.785  0.966  0.023  1.0
  O  O14  1  0.134  0.750  0.132  1.0
  O  O15  1  0.972  0.250  0.147  1.0
  O  O16  1  0.352  0.047  0.216  1.0
  O  O17  1  0.352  0.453  0.216  1.0
  O  O18  1  0.852  0.953  0.284  1.0
  O  O19  1  0.852  0.547  0.284  1.0
  O  O20  1  0.472  0.750  0.353  1.0
  O  O21  1  0.634  0.250  0.368  1.0
  O  O22  1  0.285  0.034  0.477  1.0
  O  O23  1  0.285  0.466  0.477  1.0
  O  O24  1  0.715  0.534  0.523  1.0
  O  O25  1  0.715  0.966  0.523  1.0
  O  O26  1  0.366  0.750  0.632  1.0
  O  O27  1  0.528  0.250  0.647  1.0
  O  O28  1  0.148  0.047  0.716  1.0
  O  O29  1  0.148  0.453  0.716  1.0
  O  O30  1  0.648  0.547  0.784  1.0
  O  O31  1  0.648  0.953  0.784  1.0
  O  O32  1  0.028  0.750  0.853  1.0
  O  O33  1  0.866  0.250  0.868  1.0
  O  O34  1  0.215  0.034  0.977  1.0
  O  O35  1  0.215  0.466  0.977  1.0
[/CIF]
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The structure described by PbTa2O6 crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 21-38°. Pb(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(4), and four equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ta(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ta(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ta(1) and one Pb(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Ta(1) and one Pb(1) atom. is represented by the CIF file [CIF]
data_Ta2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.706
_cell_length_b   7.662
_cell_length_c   11.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   484.189
_cell_formula_units_Z   4
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
  Ta  Ta0  1  0.035  0.503  0.143  1.0
  Ta  Ta1  1  0.035  0.997  0.143  1.0
  Ta  Ta2  1  0.535  0.003  0.357  1.0
  Ta  Ta3  1  0.535  0.497  0.357  1.0
  Ta  Ta4  1  0.465  0.503  0.643  1.0
  Ta  Ta5  1  0.465  0.997  0.643  1.0
  Ta  Ta6  1  0.965  0.003  0.857  1.0
  Ta  Ta7  1  0.965  0.497  0.857  1.0
  Pb  Pb8  1  0.535  0.250  0.036  1.0
  Pb  Pb9  1  0.035  0.750  0.464  1.0
  Pb  Pb10  1  0.965  0.250  0.536  1.0
  Pb  Pb11  1  0.465  0.750  0.964  1.0
  O  O12  1  0.785  0.534  0.023  1.0
  O  O13  1  0.785  0.966  0.023  1.0
  O  O14  1  0.134  0.750  0.132  1.0
  O  O15  1  0.972  0.250  0.147  1.0
  O  O16  1  0.352  0.047  0.216  1.0
  O  O17  1  0.352  0.453  0.216  1.0
  O  O18  1  0.852  0.953  0.284  1.0
  O  O19  1  0.852  0.547  0.284  1.0
  O  O20  1  0.472  0.750  0.353  1.0
  O  O21  1  0.634  0.250  0.368  1.0
  O  O22  1  0.285  0.034  0.477  1.0
  O  O23  1  0.285  0.466  0.477  1.0
  O  O24  1  0.715  0.534  0.523  1.0
  O  O25  1  0.715  0.966  0.523  1.0
  O  O26  1  0.366  0.750  0.632  1.0
  O  O27  1  0.528  0.250  0.647  1.0
  O  O28  1  0.148  0.047  0.716  1.0
  O  O29  1  0.148  0.453  0.716  1.0
  O  O30  1  0.648  0.547  0.784  1.0
  O  O31  1  0.648  0.953  0.784  1.0
  O  O32  1  0.028  0.750  0.853  1.0
  O  O33  1  0.866  0.250  0.868  1.0
  O  O34  1  0.215  0.034  0.977  1.0
  O  O35  1  0.215  0.466  0.977  1.0
[/CIF]
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