The material structure described by Ga2(SO4)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form GaO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. In the second Ga site, Ga(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form GaO6 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 Ga(1)O6 octahedra and corners with two equivalent Ga(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-44°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ga(2) and one S(1) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Ga(2) and one S(1) atom. In the third O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ga(1) and one S(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Ga(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Ga2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.676
_cell_length_b   8.676
_cell_length_c   8.676
_cell_angle_alpha   55.510
_cell_angle_beta   55.510
_cell_angle_gamma   55.510
_symmetry_Int_Tables_number   1
_cell_volume   413.638
_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
  Ga  Ga0  1  0.144  0.144  0.144  1.0
  Ga  Ga1  1  0.856  0.856  0.856  1.0
  Ga  Ga2  1  0.349  0.349  0.349  1.0
  Ga  Ga3  1  0.651  0.651  0.651  1.0
  S  S4  1  0.039  0.458  0.751  1.0
  S  S5  1  0.458  0.751  0.039  1.0
  S  S6  1  0.751  0.039  0.458  1.0
  S  S7  1  0.961  0.542  0.249  1.0
  S  S8  1  0.542  0.249  0.961  1.0
  S  S9  1  0.249  0.961  0.542  1.0
  O  O10  1  0.014  0.611  0.797  1.0
  O  O11  1  0.611  0.797  0.014  1.0
  O  O12  1  0.797  0.014  0.611  1.0
  O  O13  1  0.986  0.389  0.203  1.0
  O  O14  1  0.389  0.203  0.986  1.0
  O  O15  1  0.203  0.986  0.389  1.0
  O  O16  1  0.844  0.474  0.786  1.0
  O  O17  1  0.474  0.786  0.844  1.0
  O  O18  1  0.786  0.844  0.474  1.0
  O  O19  1  0.156  0.526  0.214  1.0
  O  O20  1  0.526  0.214  0.156  1.0
  O  O21  1  0.214  0.156  0.526  1.0
  O  O22  1  0.174  0.485  0.541  1.0
  O  O23  1  0.485  0.541  0.174  1.0
  O  O24  1  0.541  0.174  0.485  1.0
  O  O25  1  0.826  0.515  0.459  1.0
  O  O26  1  0.515  0.459  0.826  1.0
  O  O27  1  0.459  0.826  0.515  1.0
  O  O28  1  0.128  0.258  0.882  1.0
  O  O29  1  0.258  0.882  0.128  1.0
  O  O30  1  0.882  0.128  0.258  1.0
  O  O31  1  0.872  0.742  0.118  1.0
  O  O32  1  0.742  0.118  0.872  1.0
  O  O33  1  0.118  0.872  0.742  1.0
[/CIF]
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The material structure described by Ga2(SO4)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form GaO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. In the second Ga site, Ga(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form GaO6 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 Ga(1)O6 octahedra and corners with two equivalent Ga(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-44°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ga(2) and one S(1) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Ga(2) and one S(1) atom. In the third O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ga(1) and one S(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Ga(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Ga2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.676
_cell_length_b   8.676
_cell_length_c   8.676
_cell_angle_alpha   55.510
_cell_angle_beta   55.510
_cell_angle_gamma   55.510
_symmetry_Int_Tables_number   1
_cell_volume   413.638
_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
  Ga  Ga0  1  0.144  0.144  0.144  1.0
  Ga  Ga1  1  0.856  0.856  0.856  1.0
  Ga  Ga2  1  0.349  0.349  0.349  1.0
  Ga  Ga3  1  0.651  0.651  0.651  1.0
  S  S4  1  0.039  0.458  0.751  1.0
  S  S5  1  0.458  0.751  0.039  1.0
  S  S6  1  0.751  0.039  0.458  1.0
  S  S7  1  0.961  0.542  0.249  1.0
  S  S8  1  0.542  0.249  0.961  1.0
  S  S9  1  0.249  0.961  0.542  1.0
  O  O10  1  0.014  0.611  0.797  1.0
  O  O11  1  0.611  0.797  0.014  1.0
  O  O12  1  0.797  0.014  0.611  1.0
  O  O13  1  0.986  0.389  0.203  1.0
  O  O14  1  0.389  0.203  0.986  1.0
  O  O15  1  0.203  0.986  0.389  1.0
  O  O16  1  0.844  0.474  0.786  1.0
  O  O17  1  0.474  0.786  0.844  1.0
  O  O18  1  0.786  0.844  0.474  1.0
  O  O19  1  0.156  0.526  0.214  1.0
  O  O20  1  0.526  0.214  0.156  1.0
  O  O21  1  0.214  0.156  0.526  1.0
  O  O22  1  0.174  0.485  0.541  1.0
  O  O23  1  0.485  0.541  0.174  1.0
  O  O24  1  0.541  0.174  0.485  1.0
  O  O25  1  0.826  0.515  0.459  1.0
  O  O26  1  0.515  0.459  0.826  1.0
  O  O27  1  0.459  0.826  0.515  1.0
  O  O28  1  0.128  0.258  0.882  1.0
  O  O29  1  0.258  0.882  0.128  1.0
  O  O30  1  0.882  0.128  0.258  1.0
  O  O31  1  0.872  0.742  0.118  1.0
  O  O32  1  0.742  0.118  0.872  1.0
  O  O33  1  0.118  0.872  0.742  1.0
[/CIF]
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