The compound described by TaFe(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ta(1) is bonded to six equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra and faces with eight equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Pb(1) is bonded to twelve equivalent O(1) atoms to form PbO12 cuboctahedra that share corners with twelve equivalent Pb(1)O12 cuboctahedra, faces with six equivalent Pb(1)O12 cuboctahedra, faces with four equivalent Ta(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. O(1) is bonded in a linear geometry to one Ta(1), one Fe(1), and four equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_TaFe(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.628
_cell_length_b   5.628
_cell_length_c   5.628
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   126.052
_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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Pb  Pb2  1  0.750  0.750  0.750  1.0
  Pb  Pb3  1  0.250  0.250  0.250  1.0
  O  O4  1  0.253  0.747  0.747  1.0
  O  O5  1  0.747  0.253  0.253  1.0
  O  O6  1  0.747  0.253  0.747  1.0
  O  O7  1  0.253  0.747  0.253  1.0
  O  O8  1  0.747  0.747  0.253  1.0
  O  O9  1  0.253  0.253  0.747  1.0
[/CIF]
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The compound described by TaFe(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ta(1) is bonded to six equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra and faces with eight equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Pb(1) is bonded to twelve equivalent O(1) atoms to form PbO12 cuboctahedra that share corners with twelve equivalent Pb(1)O12 cuboctahedra, faces with six equivalent Pb(1)O12 cuboctahedra, faces with four equivalent Ta(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. O(1) is bonded in a linear geometry to one Ta(1), one Fe(1), and four equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_TaFe(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.628
_cell_length_b   5.628
_cell_length_c   5.628
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   126.052
_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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Pb  Pb2  1  0.750  0.750  0.750  1.0
  Pb  Pb3  1  0.250  0.250  0.250  1.0
  O  O4  1  0.253  0.747  0.747  1.0
  O  O5  1  0.747  0.253  0.253  1.0
  O  O6  1  0.747  0.253  0.747  1.0
  O  O7  1  0.253  0.747  0.253  1.0
  O  O8  1  0.747  0.747  0.253  1.0
  O  O9  1  0.253  0.253  0.747  1.0
[/CIF]
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