The structure described by Sn2(SO4)3 crystallizes in the trigonal R-3c space group. Sn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SnO6 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 Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-41°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one S(1) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Sn2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.191
_cell_length_b   9.191
_cell_length_c   9.191
_cell_angle_alpha   59.999
_cell_angle_beta   59.999
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   548.915
_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
  Sn  Sn0  1  0.860  0.860  0.860  1.0
  Sn  Sn1  1  0.640  0.640  0.640  1.0
  Sn  Sn2  1  0.140  0.140  0.140  1.0
  Sn  Sn3  1  0.360  0.360  0.360  1.0
  S  S4  1  0.250  0.546  0.954  1.0
  S  S5  1  0.454  0.046  0.750  1.0
  S  S6  1  0.046  0.750  0.454  1.0
  S  S7  1  0.954  0.250  0.546  1.0
  S  S8  1  0.546  0.954  0.250  1.0
  S  S9  1  0.750  0.454  0.046  1.0
  O  O10  1  0.400  0.559  0.780  1.0
  O  O11  1  0.220  0.600  0.441  1.0
  O  O12  1  0.402  0.989  0.194  1.0
  O  O13  1  0.511  0.098  0.306  1.0
  O  O14  1  0.100  0.720  0.941  1.0
  O  O15  1  0.280  0.059  0.900  1.0
  O  O16  1  0.441  0.220  0.600  1.0
  O  O17  1  0.694  0.489  0.902  1.0
  O  O18  1  0.011  0.806  0.598  1.0
  O  O19  1  0.806  0.598  0.011  1.0
  O  O20  1  0.902  0.694  0.489  1.0
  O  O21  1  0.059  0.900  0.280  1.0
  O  O22  1  0.941  0.100  0.720  1.0
  O  O23  1  0.194  0.402  0.989  1.0
  O  O24  1  0.098  0.306  0.511  1.0
  O  O25  1  0.306  0.511  0.098  1.0
  O  O26  1  0.989  0.194  0.402  1.0
  O  O27  1  0.559  0.780  0.400  1.0
  O  O28  1  0.720  0.941  0.100  1.0
  O  O29  1  0.900  0.280  0.059  1.0
  O  O30  1  0.598  0.011  0.806  1.0
  O  O31  1  0.489  0.902  0.694  1.0
  O  O32  1  0.780  0.400  0.559  1.0
  O  O33  1  0.600  0.441  0.220  1.0
[/CIF]
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The structure described by Sn2(SO4)3 crystallizes in the trigonal R-3c space group. Sn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SnO6 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 Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-41°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one S(1) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Sn2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.191
_cell_length_b   9.191
_cell_length_c   9.191
_cell_angle_alpha   59.999
_cell_angle_beta   59.999
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   548.915
_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
  Sn  Sn0  1  0.860  0.860  0.860  1.0
  Sn  Sn1  1  0.640  0.640  0.640  1.0
  Sn  Sn2  1  0.140  0.140  0.140  1.0
  Sn  Sn3  1  0.360  0.360  0.360  1.0
  S  S4  1  0.250  0.546  0.954  1.0
  S  S5  1  0.454  0.046  0.750  1.0
  S  S6  1  0.046  0.750  0.454  1.0
  S  S7  1  0.954  0.250  0.546  1.0
  S  S8  1  0.546  0.954  0.250  1.0
  S  S9  1  0.750  0.454  0.046  1.0
  O  O10  1  0.400  0.559  0.780  1.0
  O  O11  1  0.220  0.600  0.441  1.0
  O  O12  1  0.402  0.989  0.194  1.0
  O  O13  1  0.511  0.098  0.306  1.0
  O  O14  1  0.100  0.720  0.941  1.0
  O  O15  1  0.280  0.059  0.900  1.0
  O  O16  1  0.441  0.220  0.600  1.0
  O  O17  1  0.694  0.489  0.902  1.0
  O  O18  1  0.011  0.806  0.598  1.0
  O  O19  1  0.806  0.598  0.011  1.0
  O  O20  1  0.902  0.694  0.489  1.0
  O  O21  1  0.059  0.900  0.280  1.0
  O  O22  1  0.941  0.100  0.720  1.0
  O  O23  1  0.194  0.402  0.989  1.0
  O  O24  1  0.098  0.306  0.511  1.0
  O  O25  1  0.306  0.511  0.098  1.0
  O  O26  1  0.989  0.194  0.402  1.0
  O  O27  1  0.559  0.780  0.400  1.0
  O  O28  1  0.720  0.941  0.100  1.0
  O  O29  1  0.900  0.280  0.059  1.0
  O  O30  1  0.598  0.011  0.806  1.0
  O  O31  1  0.489  0.902  0.694  1.0
  O  O32  1  0.780  0.400  0.559  1.0
  O  O33  1  0.600  0.441  0.220  1.0
[/CIF]
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