The material described by Bi2(SO4)3 crystallizes in the trigonal R-3c space group. Bi(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-41°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one S(1) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Bi2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.359
_cell_length_b   9.359
_cell_length_c   9.359
_cell_angle_alpha   60.140
_cell_angle_beta   60.140
_cell_angle_gamma   60.140
_symmetry_Int_Tables_number   1
_cell_volume   581.481
_cell_formula_units_Z   2
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
  Bi  Bi0  1  0.360  0.360  0.360  1.0
  Bi  Bi1  1  0.140  0.140  0.140  1.0
  Bi  Bi2  1  0.640  0.640  0.640  1.0
  Bi  Bi3  1  0.860  0.860  0.860  1.0
  S  S4  1  0.750  0.046  0.454  1.0
  S  S5  1  0.954  0.546  0.250  1.0
  S  S6  1  0.546  0.250  0.954  1.0
  S  S7  1  0.454  0.750  0.046  1.0
  S  S8  1  0.046  0.454  0.750  1.0
  S  S9  1  0.250  0.954  0.546  1.0
  O  O10  1  0.894  0.058  0.285  1.0
  O  O11  1  0.715  0.106  0.942  1.0
  O  O12  1  0.908  0.494  0.689  1.0
  O  O13  1  0.006  0.592  0.811  1.0
  O  O14  1  0.606  0.215  0.442  1.0
  O  O15  1  0.785  0.558  0.394  1.0
  O  O16  1  0.942  0.715  0.106  1.0
  O  O17  1  0.189  0.994  0.408  1.0
  O  O18  1  0.506  0.311  0.092  1.0
  O  O19  1  0.311  0.092  0.506  1.0
  O  O20  1  0.408  0.189  0.994  1.0
  O  O21  1  0.558  0.394  0.785  1.0
  O  O22  1  0.442  0.606  0.215  1.0
  O  O23  1  0.689  0.908  0.494  1.0
  O  O24  1  0.592  0.811  0.006  1.0
  O  O25  1  0.811  0.006  0.592  1.0
  O  O26  1  0.494  0.689  0.908  1.0
  O  O27  1  0.058  0.285  0.894  1.0
  O  O28  1  0.215  0.442  0.606  1.0
  O  O29  1  0.394  0.785  0.558  1.0
  O  O30  1  0.092  0.506  0.311  1.0
  O  O31  1  0.994  0.408  0.189  1.0
  O  O32  1  0.285  0.894  0.058  1.0
  O  O33  1  0.106  0.942  0.715  1.0
[/CIF]
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The material described by Bi2(SO4)3 crystallizes in the trigonal R-3c space group. Bi(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-41°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one S(1) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Bi2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.359
_cell_length_b   9.359
_cell_length_c   9.359
_cell_angle_alpha   60.140
_cell_angle_beta   60.140
_cell_angle_gamma   60.140
_symmetry_Int_Tables_number   1
_cell_volume   581.481
_cell_formula_units_Z   2
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
  Bi  Bi0  1  0.360  0.360  0.360  1.0
  Bi  Bi1  1  0.140  0.140  0.140  1.0
  Bi  Bi2  1  0.640  0.640  0.640  1.0
  Bi  Bi3  1  0.860  0.860  0.860  1.0
  S  S4  1  0.750  0.046  0.454  1.0
  S  S5  1  0.954  0.546  0.250  1.0
  S  S6  1  0.546  0.250  0.954  1.0
  S  S7  1  0.454  0.750  0.046  1.0
  S  S8  1  0.046  0.454  0.750  1.0
  S  S9  1  0.250  0.954  0.546  1.0
  O  O10  1  0.894  0.058  0.285  1.0
  O  O11  1  0.715  0.106  0.942  1.0
  O  O12  1  0.908  0.494  0.689  1.0
  O  O13  1  0.006  0.592  0.811  1.0
  O  O14  1  0.606  0.215  0.442  1.0
  O  O15  1  0.785  0.558  0.394  1.0
  O  O16  1  0.942  0.715  0.106  1.0
  O  O17  1  0.189  0.994  0.408  1.0
  O  O18  1  0.506  0.311  0.092  1.0
  O  O19  1  0.311  0.092  0.506  1.0
  O  O20  1  0.408  0.189  0.994  1.0
  O  O21  1  0.558  0.394  0.785  1.0
  O  O22  1  0.442  0.606  0.215  1.0
  O  O23  1  0.689  0.908  0.494  1.0
  O  O24  1  0.592  0.811  0.006  1.0
  O  O25  1  0.811  0.006  0.592  1.0
  O  O26  1  0.494  0.689  0.908  1.0
  O  O27  1  0.058  0.285  0.894  1.0
  O  O28  1  0.215  0.442  0.606  1.0
  O  O29  1  0.394  0.785  0.558  1.0
  O  O30  1  0.092  0.506  0.311  1.0
  O  O31  1  0.994  0.408  0.189  1.0
  O  O32  1  0.285  0.894  0.058  1.0
  O  O33  1  0.106  0.942  0.715  1.0
[/CIF]
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