The material structure described by PbTa2O6 crystallizes in the orthorhombic Pbcn space group. Ta(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), and three equivalent O(3) atoms. Pb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted edge-sharing PbO6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ta(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.274
_cell_length_b   6.133
_cell_length_c   15.900
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   514.247
_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  0.771  0.825  0.671  1.0
  Ta  Ta1  1  0.271  0.175  0.671  1.0
  Ta  Ta2  1  0.271  0.675  0.829  1.0
  Ta  Ta3  1  0.771  0.325  0.829  1.0
  Ta  Ta4  1  0.229  0.675  0.171  1.0
  Ta  Ta5  1  0.729  0.325  0.171  1.0
  Ta  Ta6  1  0.729  0.825  0.329  1.0
  Ta  Ta7  1  0.229  0.175  0.329  1.0
  Pb  Pb8  1  0.250  0.705  0.500  1.0
  Pb  Pb9  1  0.750  0.295  0.500  1.0
  Pb  Pb10  1  0.750  0.795  0.000  1.0
  Pb  Pb11  1  0.250  0.205  0.000  1.0
  O  O12  1  0.867  0.625  0.593  1.0
  O  O13  1  0.367  0.375  0.593  1.0
  O  O14  1  0.465  0.925  0.614  1.0
  O  O15  1  0.965  0.075  0.614  1.0
  O  O16  1  0.592  0.143  0.745  1.0
  O  O17  1  0.092  0.857  0.745  1.0
  O  O18  1  0.592  0.643  0.755  1.0
  O  O19  1  0.092  0.357  0.755  1.0
  O  O20  1  0.965  0.575  0.886  1.0
  O  O21  1  0.465  0.425  0.886  1.0
  O  O22  1  0.367  0.875  0.907  1.0
  O  O23  1  0.867  0.125  0.907  1.0
  O  O24  1  0.133  0.875  0.093  1.0
  O  O25  1  0.633  0.125  0.093  1.0
  O  O26  1  0.535  0.575  0.114  1.0
  O  O27  1  0.035  0.425  0.114  1.0
  O  O28  1  0.908  0.643  0.245  1.0
  O  O29  1  0.408  0.357  0.245  1.0
  O  O30  1  0.408  0.857  0.255  1.0
  O  O31  1  0.908  0.143  0.255  1.0
  O  O32  1  0.035  0.925  0.386  1.0
  O  O33  1  0.535  0.075  0.386  1.0
  O  O34  1  0.633  0.625  0.407  1.0
  O  O35  1  0.133  0.375  0.407  1.0
[/CIF]
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The material structure described by PbTa2O6 crystallizes in the orthorhombic Pbcn space group. Ta(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), and three equivalent O(3) atoms. Pb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted edge-sharing PbO6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ta(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.274
_cell_length_b   6.133
_cell_length_c   15.900
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   514.247
_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  0.771  0.825  0.671  1.0
  Ta  Ta1  1  0.271  0.175  0.671  1.0
  Ta  Ta2  1  0.271  0.675  0.829  1.0
  Ta  Ta3  1  0.771  0.325  0.829  1.0
  Ta  Ta4  1  0.229  0.675  0.171  1.0
  Ta  Ta5  1  0.729  0.325  0.171  1.0
  Ta  Ta6  1  0.729  0.825  0.329  1.0
  Ta  Ta7  1  0.229  0.175  0.329  1.0
  Pb  Pb8  1  0.250  0.705  0.500  1.0
  Pb  Pb9  1  0.750  0.295  0.500  1.0
  Pb  Pb10  1  0.750  0.795  0.000  1.0
  Pb  Pb11  1  0.250  0.205  0.000  1.0
  O  O12  1  0.867  0.625  0.593  1.0
  O  O13  1  0.367  0.375  0.593  1.0
  O  O14  1  0.465  0.925  0.614  1.0
  O  O15  1  0.965  0.075  0.614  1.0
  O  O16  1  0.592  0.143  0.745  1.0
  O  O17  1  0.092  0.857  0.745  1.0
  O  O18  1  0.592  0.643  0.755  1.0
  O  O19  1  0.092  0.357  0.755  1.0
  O  O20  1  0.965  0.575  0.886  1.0
  O  O21  1  0.465  0.425  0.886  1.0
  O  O22  1  0.367  0.875  0.907  1.0
  O  O23  1  0.867  0.125  0.907  1.0
  O  O24  1  0.133  0.875  0.093  1.0
  O  O25  1  0.633  0.125  0.093  1.0
  O  O26  1  0.535  0.575  0.114  1.0
  O  O27  1  0.035  0.425  0.114  1.0
  O  O28  1  0.908  0.643  0.245  1.0
  O  O29  1  0.408  0.357  0.245  1.0
  O  O30  1  0.408  0.857  0.255  1.0
  O  O31  1  0.908  0.143  0.255  1.0
  O  O32  1  0.035  0.925  0.386  1.0
  O  O33  1  0.535  0.075  0.386  1.0
  O  O34  1  0.633  0.625  0.407  1.0
  O  O35  1  0.133  0.375  0.407  1.0
[/CIF]
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