The compound described by Sn2(SO4)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted SnO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. In the second Sn site, Sn(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form SnO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-61°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one Sn(1) and one S(1) atom. In the second O site, O(3) is bonded in a bent 120 degrees geometry to one Sn(1) and one S(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Sn(2) and one S(1) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.505
_cell_length_b   9.505
_cell_length_c   9.505
_cell_angle_alpha   52.519
_cell_angle_beta   52.519
_cell_angle_gamma   52.519
_symmetry_Int_Tables_number   1
_cell_volume   500.540
_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  0.864  0.864  0.864  1.0
  Sn  Sn1  1  0.662  0.662  0.662  1.0
  Sn  Sn2  1  0.338  0.338  0.338  1.0
  Sn  Sn3  1  0.136  0.136  0.136  1.0
  S  S4  1  0.266  0.565  0.938  1.0
  S  S5  1  0.062  0.734  0.435  1.0
  S  S6  1  0.435  0.062  0.734  1.0
  S  S7  1  0.565  0.938  0.266  1.0
  S  S8  1  0.938  0.266  0.565  1.0
  S  S9  1  0.734  0.435  0.062  1.0
  O  O10  1  0.480  0.856  0.791  1.0
  O  O11  1  0.791  0.480  0.856  1.0
  O  O12  1  0.231  0.445  0.928  1.0
  O  O13  1  0.160  0.769  0.855  1.0
  O  O14  1  0.856  0.791  0.480  1.0
  O  O15  1  0.231  0.145  0.840  1.0
  O  O16  1  0.072  0.769  0.555  1.0
  O  O17  1  0.477  0.524  0.841  1.0
  O  O18  1  0.159  0.523  0.476  1.0
  O  O19  1  0.555  0.072  0.769  1.0
  O  O20  1  0.145  0.840  0.231  1.0
  O  O21  1  0.476  0.159  0.523  1.0
  O  O22  1  0.524  0.841  0.477  1.0
  O  O23  1  0.855  0.160  0.769  1.0
  O  O24  1  0.445  0.928  0.231  1.0
  O  O25  1  0.841  0.477  0.524  1.0
  O  O26  1  0.523  0.476  0.159  1.0
  O  O27  1  0.928  0.231  0.445  1.0
  O  O28  1  0.769  0.855  0.160  1.0
  O  O29  1  0.144  0.209  0.520  1.0
  O  O30  1  0.840  0.231  0.145  1.0
  O  O31  1  0.769  0.555  0.072  1.0
  O  O32  1  0.209  0.520  0.144  1.0
  O  O33  1  0.520  0.144  0.209  1.0
[/CIF]
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The compound described by Sn2(SO4)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted SnO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. In the second Sn site, Sn(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form SnO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-61°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one Sn(1) and one S(1) atom. In the second O site, O(3) is bonded in a bent 120 degrees geometry to one Sn(1) and one S(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Sn(2) and one S(1) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.505
_cell_length_b   9.505
_cell_length_c   9.505
_cell_angle_alpha   52.519
_cell_angle_beta   52.519
_cell_angle_gamma   52.519
_symmetry_Int_Tables_number   1
_cell_volume   500.540
_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  0.864  0.864  0.864  1.0
  Sn  Sn1  1  0.662  0.662  0.662  1.0
  Sn  Sn2  1  0.338  0.338  0.338  1.0
  Sn  Sn3  1  0.136  0.136  0.136  1.0
  S  S4  1  0.266  0.565  0.938  1.0
  S  S5  1  0.062  0.734  0.435  1.0
  S  S6  1  0.435  0.062  0.734  1.0
  S  S7  1  0.565  0.938  0.266  1.0
  S  S8  1  0.938  0.266  0.565  1.0
  S  S9  1  0.734  0.435  0.062  1.0
  O  O10  1  0.480  0.856  0.791  1.0
  O  O11  1  0.791  0.480  0.856  1.0
  O  O12  1  0.231  0.445  0.928  1.0
  O  O13  1  0.160  0.769  0.855  1.0
  O  O14  1  0.856  0.791  0.480  1.0
  O  O15  1  0.231  0.145  0.840  1.0
  O  O16  1  0.072  0.769  0.555  1.0
  O  O17  1  0.477  0.524  0.841  1.0
  O  O18  1  0.159  0.523  0.476  1.0
  O  O19  1  0.555  0.072  0.769  1.0
  O  O20  1  0.145  0.840  0.231  1.0
  O  O21  1  0.476  0.159  0.523  1.0
  O  O22  1  0.524  0.841  0.477  1.0
  O  O23  1  0.855  0.160  0.769  1.0
  O  O24  1  0.445  0.928  0.231  1.0
  O  O25  1  0.841  0.477  0.524  1.0
  O  O26  1  0.523  0.476  0.159  1.0
  O  O27  1  0.928  0.231  0.445  1.0
  O  O28  1  0.769  0.855  0.160  1.0
  O  O29  1  0.144  0.209  0.520  1.0
  O  O30  1  0.840  0.231  0.145  1.0
  O  O31  1  0.769  0.555  0.072  1.0
  O  O32  1  0.209  0.520  0.144  1.0
  O  O33  1  0.520  0.144  0.209  1.0
[/CIF]
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