The material described by Sr10P6O24BrCl crystallizes in the trigonal P-3 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), one Br(1), and one Cl(1) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one P(1) atom. In the second O site, O(1) is bonded in a 1-coordinate geometry to one Sr(1), two equivalent Sr(3), and one P(1) atom. In the third O site, O(2) is bonded in a 1-coordinate geometry to one Sr(2), two equivalent Sr(3), and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), one Sr(3), and one P(1) atom. Br(1) is bonded to six equivalent Sr(3) atoms to form BrSr6 octahedra that share faces with two equivalent Cl(1)Sr6 octahedra. Cl(1) is bonded to six equivalent Sr(3) atoms to form ClSr6 octahedra that share faces with two equivalent Br(1)Sr6 octahedra. is represented by the CIF file [CIF]
data_Sr10P6BrClO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.050
_cell_length_b   10.050
_cell_length_c   7.287
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   637.406
_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  0.333  0.667  0.500  1.0
  Sr  Sr1  1  0.667  0.333  1.000  1.0
  Sr  Sr2  1  0.667  0.333  0.500  1.0
  Sr  Sr3  1  0.333  0.667  0.000  1.0
  Sr  Sr4  1  0.254  0.993  0.248  1.0
  Sr  Sr5  1  0.739  0.746  0.248  1.0
  Sr  Sr6  1  0.007  0.261  0.248  1.0
  Sr  Sr7  1  0.746  0.007  0.752  1.0
  Sr  Sr8  1  0.261  0.254  0.752  1.0
  Sr  Sr9  1  0.993  0.739  0.752  1.0
  P  P10  1  0.968  0.592  0.250  1.0
  P  P11  1  0.624  0.032  0.250  1.0
  P  P12  1  0.408  0.376  0.250  1.0
  P  P13  1  0.032  0.408  0.750  1.0
  P  P14  1  0.376  0.968  0.750  1.0
  P  P15  1  0.592  0.624  0.750  1.0
  Br  Br16  1  0.000  0.000  0.500  1.0
  Cl  Cl17  1  0.000  0.000  0.000  1.0
  O  O18  1  0.917  0.645  0.423  1.0
  O  O19  1  0.729  0.083  0.423  1.0
  O  O20  1  0.355  0.271  0.423  1.0
  O  O21  1  0.083  0.354  0.923  1.0
  O  O22  1  0.271  0.917  0.923  1.0
  O  O23  1  0.646  0.729  0.923  1.0
  O  O24  1  0.083  0.355  0.577  1.0
  O  O25  1  0.271  0.917  0.577  1.0
  O  O26  1  0.645  0.729  0.577  1.0
  O  O27  1  0.917  0.646  0.077  1.0
  O  O28  1  0.729  0.083  0.077  1.0
  O  O29  1  0.354  0.271  0.077  1.0
  O  O30  1  0.145  0.656  0.250  1.0
  O  O31  1  0.511  0.855  0.250  1.0
  O  O32  1  0.344  0.489  0.250  1.0
  O  O33  1  0.855  0.344  0.750  1.0
  O  O34  1  0.489  0.145  0.750  1.0
  O  O35  1  0.656  0.511  0.750  1.0
  O  O36  1  0.878  0.412  0.250  1.0
  O  O37  1  0.534  0.122  0.250  1.0
  O  O38  1  0.588  0.466  0.250  1.0
  O  O39  1  0.122  0.588  0.750  1.0
  O  O40  1  0.466  0.878  0.750  1.0
  O  O41  1  0.412  0.534  0.750  1.0
[/CIF]
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The material described by Sr10P6O24BrCl crystallizes in the trigonal P-3 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), one Br(1), and one Cl(1) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one P(1) atom. In the second O site, O(1) is bonded in a 1-coordinate geometry to one Sr(1), two equivalent Sr(3), and one P(1) atom. In the third O site, O(2) is bonded in a 1-coordinate geometry to one Sr(2), two equivalent Sr(3), and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), one Sr(3), and one P(1) atom. Br(1) is bonded to six equivalent Sr(3) atoms to form BrSr6 octahedra that share faces with two equivalent Cl(1)Sr6 octahedra. Cl(1) is bonded to six equivalent Sr(3) atoms to form ClSr6 octahedra that share faces with two equivalent Br(1)Sr6 octahedra. is represented by the CIF file [CIF]
data_Sr10P6BrClO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.050
_cell_length_b   10.050
_cell_length_c   7.287
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   637.406
_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  0.333  0.667  0.500  1.0
  Sr  Sr1  1  0.667  0.333  1.000  1.0
  Sr  Sr2  1  0.667  0.333  0.500  1.0
  Sr  Sr3  1  0.333  0.667  0.000  1.0
  Sr  Sr4  1  0.254  0.993  0.248  1.0
  Sr  Sr5  1  0.739  0.746  0.248  1.0
  Sr  Sr6  1  0.007  0.261  0.248  1.0
  Sr  Sr7  1  0.746  0.007  0.752  1.0
  Sr  Sr8  1  0.261  0.254  0.752  1.0
  Sr  Sr9  1  0.993  0.739  0.752  1.0
  P  P10  1  0.968  0.592  0.250  1.0
  P  P11  1  0.624  0.032  0.250  1.0
  P  P12  1  0.408  0.376  0.250  1.0
  P  P13  1  0.032  0.408  0.750  1.0
  P  P14  1  0.376  0.968  0.750  1.0
  P  P15  1  0.592  0.624  0.750  1.0
  Br  Br16  1  0.000  0.000  0.500  1.0
  Cl  Cl17  1  0.000  0.000  0.000  1.0
  O  O18  1  0.917  0.645  0.423  1.0
  O  O19  1  0.729  0.083  0.423  1.0
  O  O20  1  0.355  0.271  0.423  1.0
  O  O21  1  0.083  0.354  0.923  1.0
  O  O22  1  0.271  0.917  0.923  1.0
  O  O23  1  0.646  0.729  0.923  1.0
  O  O24  1  0.083  0.355  0.577  1.0
  O  O25  1  0.271  0.917  0.577  1.0
  O  O26  1  0.645  0.729  0.577  1.0
  O  O27  1  0.917  0.646  0.077  1.0
  O  O28  1  0.729  0.083  0.077  1.0
  O  O29  1  0.354  0.271  0.077  1.0
  O  O30  1  0.145  0.656  0.250  1.0
  O  O31  1  0.511  0.855  0.250  1.0
  O  O32  1  0.344  0.489  0.250  1.0
  O  O33  1  0.855  0.344  0.750  1.0
  O  O34  1  0.489  0.145  0.750  1.0
  O  O35  1  0.656  0.511  0.750  1.0
  O  O36  1  0.878  0.412  0.250  1.0
  O  O37  1  0.534  0.122  0.250  1.0
  O  O38  1  0.588  0.466  0.250  1.0
  O  O39  1  0.122  0.588  0.750  1.0
  O  O40  1  0.466  0.878  0.750  1.0
  O  O41  1  0.412  0.534  0.750  1.0
[/CIF]
.