The compound described by Ba10P6SO24 crystallizes in the trigonal P-3 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one S(1), one O(1), one O(4), two equivalent O(2), and three equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. S(1) is bonded in an octahedral geometry to six equivalent Ba(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one P(1) atom. is represented by the CIF card [CIF]
data_Ba10P6SO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.394
_cell_length_b   10.394
_cell_length_c   7.758
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   725.826
_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
  Ba  Ba0  1  0.986  0.741  0.739  1.0
  Ba  Ba1  1  0.259  0.244  0.739  1.0
  Ba  Ba2  1  0.756  0.014  0.739  1.0
  Ba  Ba3  1  0.741  0.756  0.261  1.0
  Ba  Ba4  1  0.014  0.259  0.261  1.0
  Ba  Ba5  1  0.244  0.986  0.261  1.0
  Ba  Ba6  1  0.667  0.333  0.480  1.0
  Ba  Ba7  1  0.333  0.667  0.520  1.0
  Ba  Ba8  1  0.667  0.333  0.981  1.0
  Ba  Ba9  1  0.333  0.667  0.019  1.0
  P  P10  1  0.369  0.970  0.752  1.0
  P  P11  1  0.601  0.631  0.752  1.0
  P  P12  1  0.970  0.601  0.248  1.0
  P  P13  1  0.030  0.399  0.752  1.0
  P  P14  1  0.399  0.369  0.248  1.0
  P  P15  1  0.631  0.030  0.248  1.0
  S  S16  1  0.000  0.000  0.500  1.0
  O  O17  1  0.477  0.141  0.737  1.0
  O  O18  1  0.095  0.376  0.581  1.0
  O  O19  1  0.281  0.905  0.581  1.0
  O  O20  1  0.624  0.719  0.581  1.0
  O  O21  1  0.905  0.624  0.419  1.0
  O  O22  1  0.719  0.095  0.419  1.0
  O  O23  1  0.376  0.281  0.419  1.0
  O  O24  1  0.062  0.317  0.899  1.0
  O  O25  1  0.254  0.938  0.899  1.0
  O  O26  1  0.683  0.746  0.899  1.0
  O  O27  1  0.317  0.254  0.101  1.0
  O  O28  1  0.111  0.570  0.787  1.0
  O  O29  1  0.459  0.889  0.787  1.0
  O  O30  1  0.430  0.541  0.787  1.0
  O  O31  1  0.889  0.430  0.213  1.0
  O  O32  1  0.541  0.111  0.213  1.0
  O  O33  1  0.336  0.477  0.263  1.0
  O  O34  1  0.523  0.859  0.263  1.0
  O  O35  1  0.141  0.664  0.263  1.0
  O  O36  1  0.664  0.523  0.737  1.0
  O  O37  1  0.746  0.062  0.101  1.0
  O  O38  1  0.859  0.336  0.737  1.0
  O  O39  1  0.570  0.459  0.213  1.0
  O  O40  1  0.938  0.683  0.101  1.0
[/CIF]
.
The compound described by Ba10P6SO24 crystallizes in the trigonal P-3 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one S(1), one O(1), one O(4), two equivalent O(2), and three equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. S(1) is bonded in an octahedral geometry to six equivalent Ba(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one P(1) atom. is represented by the CIF card [CIF]
data_Ba10P6SO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.394
_cell_length_b   10.394
_cell_length_c   7.758
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   725.826
_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
  Ba  Ba0  1  0.986  0.741  0.739  1.0
  Ba  Ba1  1  0.259  0.244  0.739  1.0
  Ba  Ba2  1  0.756  0.014  0.739  1.0
  Ba  Ba3  1  0.741  0.756  0.261  1.0
  Ba  Ba4  1  0.014  0.259  0.261  1.0
  Ba  Ba5  1  0.244  0.986  0.261  1.0
  Ba  Ba6  1  0.667  0.333  0.480  1.0
  Ba  Ba7  1  0.333  0.667  0.520  1.0
  Ba  Ba8  1  0.667  0.333  0.981  1.0
  Ba  Ba9  1  0.333  0.667  0.019  1.0
  P  P10  1  0.369  0.970  0.752  1.0
  P  P11  1  0.601  0.631  0.752  1.0
  P  P12  1  0.970  0.601  0.248  1.0
  P  P13  1  0.030  0.399  0.752  1.0
  P  P14  1  0.399  0.369  0.248  1.0
  P  P15  1  0.631  0.030  0.248  1.0
  S  S16  1  0.000  0.000  0.500  1.0
  O  O17  1  0.477  0.141  0.737  1.0
  O  O18  1  0.095  0.376  0.581  1.0
  O  O19  1  0.281  0.905  0.581  1.0
  O  O20  1  0.624  0.719  0.581  1.0
  O  O21  1  0.905  0.624  0.419  1.0
  O  O22  1  0.719  0.095  0.419  1.0
  O  O23  1  0.376  0.281  0.419  1.0
  O  O24  1  0.062  0.317  0.899  1.0
  O  O25  1  0.254  0.938  0.899  1.0
  O  O26  1  0.683  0.746  0.899  1.0
  O  O27  1  0.317  0.254  0.101  1.0
  O  O28  1  0.111  0.570  0.787  1.0
  O  O29  1  0.459  0.889  0.787  1.0
  O  O30  1  0.430  0.541  0.787  1.0
  O  O31  1  0.889  0.430  0.213  1.0
  O  O32  1  0.541  0.111  0.213  1.0
  O  O33  1  0.336  0.477  0.263  1.0
  O  O34  1  0.523  0.859  0.263  1.0
  O  O35  1  0.141  0.664  0.263  1.0
  O  O36  1  0.664  0.523  0.737  1.0
  O  O37  1  0.746  0.062  0.101  1.0
  O  O38  1  0.859  0.336  0.737  1.0
  O  O39  1  0.570  0.459  0.213  1.0
  O  O40  1  0.938  0.683  0.101  1.0
[/CIF]
.