The crystal structure described by SrAl3PSO14 crystallizes in the trigonal R3m space group. Sr(1) is bonded to three equivalent O(1), three equivalent O(2), three equivalent O(5), and three equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent S(1)O4 tetrahedra, and faces with six equivalent Al(1)O6 octahedra. Al(1) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form AlO6 octahedra that share corners with four equivalent Al(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one S(1)O4 tetrahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 39-42°. P(1) is bonded to one O(3) and three equivalent O(5) atoms to form PO4 tetrahedra that share corners with three equivalent Sr(1)O12 cuboctahedra and corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. S(1) is bonded to one O(4) and three equivalent O(6) atoms to form SO4 tetrahedra that share corners with three equivalent Sr(1)O12 cuboctahedra and corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a single-bond geometry to one P(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Sr(1), one Al(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sr(1), one Al(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrAl3PSO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.108
_cell_length_b   7.108
_cell_length_c   7.108
_cell_angle_alpha   58.654
_cell_angle_beta   58.654
_cell_angle_gamma   58.654
_symmetry_Int_Tables_number   1
_cell_volume   246.112
_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  0.001  0.001  0.001  1.0
  Al  Al1  1  0.999  0.999  0.501  1.0
  Al  Al2  1  0.501  0.999  0.999  1.0
  Al  Al3  1  0.999  0.501  0.999  1.0
  P  P4  1  0.694  0.694  0.694  1.0
  S  S5  1  0.307  0.307  0.307  1.0
  O  O6  1  0.750  0.092  0.750  1.0
  O  O7  1  0.092  0.750  0.750  1.0
  O  O8  1  0.750  0.750  0.092  1.0
  O  O9  1  0.251  0.910  0.251  1.0
  O  O10  1  0.910  0.251  0.251  1.0
  O  O11  1  0.251  0.251  0.910  1.0
  O  O12  1  0.606  0.606  0.606  1.0
  O  O13  1  0.388  0.388  0.388  1.0
  O  O14  1  0.846  0.484  0.846  1.0
  O  O15  1  0.484  0.846  0.846  1.0
  O  O16  1  0.846  0.846  0.484  1.0
  O  O17  1  0.159  0.508  0.159  1.0
  O  O18  1  0.508  0.159  0.159  1.0
  O  O19  1  0.159  0.159  0.508  1.0
[/CIF]
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The crystal structure described by SrAl3PSO14 crystallizes in the trigonal R3m space group. Sr(1) is bonded to three equivalent O(1), three equivalent O(2), three equivalent O(5), and three equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent S(1)O4 tetrahedra, and faces with six equivalent Al(1)O6 octahedra. Al(1) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form AlO6 octahedra that share corners with four equivalent Al(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one S(1)O4 tetrahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 39-42°. P(1) is bonded to one O(3) and three equivalent O(5) atoms to form PO4 tetrahedra that share corners with three equivalent Sr(1)O12 cuboctahedra and corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. S(1) is bonded to one O(4) and three equivalent O(6) atoms to form SO4 tetrahedra that share corners with three equivalent Sr(1)O12 cuboctahedra and corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a single-bond geometry to one P(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Sr(1), one Al(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sr(1), one Al(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrAl3PSO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.108
_cell_length_b   7.108
_cell_length_c   7.108
_cell_angle_alpha   58.654
_cell_angle_beta   58.654
_cell_angle_gamma   58.654
_symmetry_Int_Tables_number   1
_cell_volume   246.112
_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  0.001  0.001  0.001  1.0
  Al  Al1  1  0.999  0.999  0.501  1.0
  Al  Al2  1  0.501  0.999  0.999  1.0
  Al  Al3  1  0.999  0.501  0.999  1.0
  P  P4  1  0.694  0.694  0.694  1.0
  S  S5  1  0.307  0.307  0.307  1.0
  O  O6  1  0.750  0.092  0.750  1.0
  O  O7  1  0.092  0.750  0.750  1.0
  O  O8  1  0.750  0.750  0.092  1.0
  O  O9  1  0.251  0.910  0.251  1.0
  O  O10  1  0.910  0.251  0.251  1.0
  O  O11  1  0.251  0.251  0.910  1.0
  O  O12  1  0.606  0.606  0.606  1.0
  O  O13  1  0.388  0.388  0.388  1.0
  O  O14  1  0.846  0.484  0.846  1.0
  O  O15  1  0.484  0.846  0.846  1.0
  O  O16  1  0.846  0.846  0.484  1.0
  O  O17  1  0.159  0.508  0.159  1.0
  O  O18  1  0.508  0.159  0.159  1.0
  O  O19  1  0.159  0.159  0.508  1.0
[/CIF]
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