The material described by Sr4Al6O12SO4 crystallizes in the cubic I-43m space group. The structure consists of two sulfuric acid molecules inside a Sr2Al3O6 framework. In the Sr2Al3O6 framework, Sr(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. Al(1) is bonded to four equivalent O(1) atoms to form corner-sharing AlO4 tetrahedra. O(1) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Sr4Al6SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.159
_cell_length_b   8.159
_cell_length_c   8.159
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   418.130
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.000  0.607  0.000  1.0
  Sr  Sr1  1  0.000  0.000  0.607  1.0
  Sr  Sr2  1  0.607  0.000  0.000  1.0
  Sr  Sr3  1  0.393  0.393  0.393  1.0
  Al  Al4  1  0.250  0.500  0.750  1.0
  Al  Al5  1  0.750  0.250  0.500  1.0
  Al  Al6  1  0.500  0.250  0.750  1.0
  Al  Al7  1  0.750  0.500  0.250  1.0
  Al  Al8  1  0.500  0.750  0.250  1.0
  Al  Al9  1  0.250  0.750  0.500  1.0
  S  S10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.000  0.700  0.395  1.0
  O  O12  1  0.695  0.300  0.300  1.0
  O  O13  1  0.000  0.395  0.700  1.0
  O  O14  1  0.605  0.605  0.305  1.0
  O  O15  1  0.605  0.305  0.605  1.0
  O  O16  1  0.395  0.000  0.700  1.0
  O  O17  1  0.300  0.300  0.695  1.0
  O  O18  1  0.700  0.000  0.395  1.0
  O  O19  1  0.700  0.395  0.000  1.0
  O  O20  1  0.300  0.695  0.300  1.0
  O  O21  1  0.395  0.700  0.000  1.0
  O  O22  1  0.817  0.817  0.817  1.0
  O  O23  1  0.183  0.000  0.000  1.0
  O  O24  1  0.000  0.183  0.000  1.0
  O  O25  1  0.000  0.000  0.183  1.0
  O  O26  1  0.305  0.605  0.605  1.0
[/CIF]
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The material described by Sr4Al6O12SO4 crystallizes in the cubic I-43m space group. The structure consists of two sulfuric acid molecules inside a Sr2Al3O6 framework. In the Sr2Al3O6 framework, Sr(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. Al(1) is bonded to four equivalent O(1) atoms to form corner-sharing AlO4 tetrahedra. O(1) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Sr4Al6SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.159
_cell_length_b   8.159
_cell_length_c   8.159
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   418.130
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.000  0.607  0.000  1.0
  Sr  Sr1  1  0.000  0.000  0.607  1.0
  Sr  Sr2  1  0.607  0.000  0.000  1.0
  Sr  Sr3  1  0.393  0.393  0.393  1.0
  Al  Al4  1  0.250  0.500  0.750  1.0
  Al  Al5  1  0.750  0.250  0.500  1.0
  Al  Al6  1  0.500  0.250  0.750  1.0
  Al  Al7  1  0.750  0.500  0.250  1.0
  Al  Al8  1  0.500  0.750  0.250  1.0
  Al  Al9  1  0.250  0.750  0.500  1.0
  S  S10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.000  0.700  0.395  1.0
  O  O12  1  0.695  0.300  0.300  1.0
  O  O13  1  0.000  0.395  0.700  1.0
  O  O14  1  0.605  0.605  0.305  1.0
  O  O15  1  0.605  0.305  0.605  1.0
  O  O16  1  0.395  0.000  0.700  1.0
  O  O17  1  0.300  0.300  0.695  1.0
  O  O18  1  0.700  0.000  0.395  1.0
  O  O19  1  0.700  0.395  0.000  1.0
  O  O20  1  0.300  0.695  0.300  1.0
  O  O21  1  0.395  0.700  0.000  1.0
  O  O22  1  0.817  0.817  0.817  1.0
  O  O23  1  0.183  0.000  0.000  1.0
  O  O24  1  0.000  0.183  0.000  1.0
  O  O25  1  0.000  0.000  0.183  1.0
  O  O26  1  0.305  0.605  0.605  1.0
[/CIF]
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