The compound described by Bi2(SO4)3 crystallizes in the monoclinic C2/c space group. Bi(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to two equivalent O(5) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one S(1) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one S(2) atom. In the third O site, O(6) is bonded in a distorted water-like geometry to one Bi(1) and one S(2) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to one Bi(1) and one S(1) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one S(1) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent 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   9.301
_cell_length_b   9.301
_cell_length_c   8.251
_cell_angle_alpha   79.266
_cell_angle_beta   79.266
_cell_angle_gamma   42.797
_symmetry_Int_Tables_number   1
_cell_volume   475.152
_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  0.548  0.752  0.452  1.0
  Bi  Bi1  1  0.248  0.452  0.048  1.0
  Bi  Bi2  1  0.452  0.248  0.548  1.0
  Bi  Bi3  1  0.752  0.548  0.952  1.0
  S  S4  1  0.099  0.278  0.309  1.0
  S  S5  1  0.722  0.901  0.191  1.0
  S  S6  1  0.901  0.722  0.691  1.0
  S  S7  1  0.278  0.099  0.809  1.0
  S  S8  1  0.577  0.423  0.250  1.0
  S  S9  1  0.423  0.577  0.750  1.0
  O  O10  1  0.908  0.395  0.419  1.0
  O  O11  1  0.605  0.092  0.081  1.0
  O  O12  1  0.092  0.605  0.581  1.0
  O  O13  1  0.395  0.908  0.919  1.0
  O  O14  1  0.217  0.326  0.327  1.0
  O  O15  1  0.674  0.783  0.173  1.0
  O  O16  1  0.783  0.674  0.673  1.0
  O  O17  1  0.326  0.217  0.827  1.0
  O  O18  1  0.049  0.347  0.131  1.0
  O  O19  1  0.653  0.951  0.369  1.0
  O  O20  1  0.951  0.653  0.869  1.0
  O  O21  1  0.347  0.049  0.631  1.0
  O  O22  1  0.234  0.050  0.335  1.0
  O  O23  1  0.950  0.766  0.165  1.0
  O  O24  1  0.766  0.950  0.665  1.0
  O  O25  1  0.050  0.234  0.835  1.0
  O  O26  1  0.521  0.619  0.254  1.0
  O  O27  1  0.381  0.479  0.246  1.0
  O  O28  1  0.479  0.381  0.746  1.0
  O  O29  1  0.619  0.521  0.754  1.0
  O  O30  1  0.675  0.283  0.401  1.0
  O  O31  1  0.717  0.325  0.099  1.0
  O  O32  1  0.325  0.717  0.599  1.0
  O  O33  1  0.283  0.675  0.901  1.0
[/CIF]
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The compound described by Bi2(SO4)3 crystallizes in the monoclinic C2/c space group. Bi(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to two equivalent O(5) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one S(1) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one S(2) atom. In the third O site, O(6) is bonded in a distorted water-like geometry to one Bi(1) and one S(2) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to one Bi(1) and one S(1) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one S(1) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent 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   9.301
_cell_length_b   9.301
_cell_length_c   8.251
_cell_angle_alpha   79.266
_cell_angle_beta   79.266
_cell_angle_gamma   42.797
_symmetry_Int_Tables_number   1
_cell_volume   475.152
_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  0.548  0.752  0.452  1.0
  Bi  Bi1  1  0.248  0.452  0.048  1.0
  Bi  Bi2  1  0.452  0.248  0.548  1.0
  Bi  Bi3  1  0.752  0.548  0.952  1.0
  S  S4  1  0.099  0.278  0.309  1.0
  S  S5  1  0.722  0.901  0.191  1.0
  S  S6  1  0.901  0.722  0.691  1.0
  S  S7  1  0.278  0.099  0.809  1.0
  S  S8  1  0.577  0.423  0.250  1.0
  S  S9  1  0.423  0.577  0.750  1.0
  O  O10  1  0.908  0.395  0.419  1.0
  O  O11  1  0.605  0.092  0.081  1.0
  O  O12  1  0.092  0.605  0.581  1.0
  O  O13  1  0.395  0.908  0.919  1.0
  O  O14  1  0.217  0.326  0.327  1.0
  O  O15  1  0.674  0.783  0.173  1.0
  O  O16  1  0.783  0.674  0.673  1.0
  O  O17  1  0.326  0.217  0.827  1.0
  O  O18  1  0.049  0.347  0.131  1.0
  O  O19  1  0.653  0.951  0.369  1.0
  O  O20  1  0.951  0.653  0.869  1.0
  O  O21  1  0.347  0.049  0.631  1.0
  O  O22  1  0.234  0.050  0.335  1.0
  O  O23  1  0.950  0.766  0.165  1.0
  O  O24  1  0.766  0.950  0.665  1.0
  O  O25  1  0.050  0.234  0.835  1.0
  O  O26  1  0.521  0.619  0.254  1.0
  O  O27  1  0.381  0.479  0.246  1.0
  O  O28  1  0.479  0.381  0.746  1.0
  O  O29  1  0.619  0.521  0.754  1.0
  O  O30  1  0.675  0.283  0.401  1.0
  O  O31  1  0.717  0.325  0.099  1.0
  O  O32  1  0.325  0.717  0.599  1.0
  O  O33  1  0.283  0.675  0.901  1.0
[/CIF]
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