The material described by Fe3Pb(SO7)2 crystallizes in the trigonal R-3m space group. Fe(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, and faces with two equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. Pb(1) is bonded to six equivalent O(2) and six equivalent O(3) atoms to form distorted PbO12 cuboctahedra that share corners with six equivalent S(1)O4 tetrahedra and faces with six equivalent Fe(1)O6 octahedra. S(1) is bonded to one O(1) and three equivalent O(2) atoms to form SO4 tetrahedra that share corners with three equivalent Pb(1)O12 cuboctahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1), one Pb(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Fe(1) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3Pb(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.223
_cell_length_b   7.223
_cell_length_c   7.223
_cell_angle_alpha   57.590
_cell_angle_beta   57.590
_cell_angle_gamma   57.590
_symmetry_Int_Tables_number   1
_cell_volume   251.707
_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
  Fe  Fe0  1  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.500  0.000  0.000  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  Pb  Pb3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.689  0.689  0.689  1.0
  S  S5  1  0.311  0.311  0.311  1.0
  O  O6  1  0.610  0.610  0.610  1.0
  O  O7  1  0.390  0.390  0.390  1.0
  O  O8  1  0.837  0.486  0.837  1.0
  O  O9  1  0.837  0.837  0.486  1.0
  O  O10  1  0.486  0.837  0.837  1.0
  O  O11  1  0.163  0.514  0.163  1.0
  O  O12  1  0.163  0.163  0.514  1.0
  O  O13  1  0.514  0.163  0.163  1.0
  O  O14  1  0.742  0.105  0.742  1.0
  O  O15  1  0.742  0.742  0.105  1.0
  O  O16  1  0.105  0.742  0.742  1.0
  O  O17  1  0.258  0.895  0.258  1.0
  O  O18  1  0.258  0.258  0.895  1.0
  O  O19  1  0.895  0.258  0.258  1.0
[/CIF]
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The material described by Fe3Pb(SO7)2 crystallizes in the trigonal R-3m space group. Fe(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, and faces with two equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. Pb(1) is bonded to six equivalent O(2) and six equivalent O(3) atoms to form distorted PbO12 cuboctahedra that share corners with six equivalent S(1)O4 tetrahedra and faces with six equivalent Fe(1)O6 octahedra. S(1) is bonded to one O(1) and three equivalent O(2) atoms to form SO4 tetrahedra that share corners with three equivalent Pb(1)O12 cuboctahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1), one Pb(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Fe(1) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3Pb(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.223
_cell_length_b   7.223
_cell_length_c   7.223
_cell_angle_alpha   57.590
_cell_angle_beta   57.590
_cell_angle_gamma   57.590
_symmetry_Int_Tables_number   1
_cell_volume   251.707
_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
  Fe  Fe0  1  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.500  0.000  0.000  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  Pb  Pb3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.689  0.689  0.689  1.0
  S  S5  1  0.311  0.311  0.311  1.0
  O  O6  1  0.610  0.610  0.610  1.0
  O  O7  1  0.390  0.390  0.390  1.0
  O  O8  1  0.837  0.486  0.837  1.0
  O  O9  1  0.837  0.837  0.486  1.0
  O  O10  1  0.486  0.837  0.837  1.0
  O  O11  1  0.163  0.514  0.163  1.0
  O  O12  1  0.163  0.163  0.514  1.0
  O  O13  1  0.514  0.163  0.163  1.0
  O  O14  1  0.742  0.105  0.742  1.0
  O  O15  1  0.742  0.742  0.105  1.0
  O  O16  1  0.105  0.742  0.742  1.0
  O  O17  1  0.258  0.895  0.258  1.0
  O  O18  1  0.258  0.258  0.895  1.0
  O  O19  1  0.895  0.258  0.258  1.0
[/CIF]
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