The crystal structure described by Sr5(VO4)3Br crystallizes in the hexagonal P6_3/m space group. There are two 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(2), and three equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), four equivalent O(3), and two equivalent Br(1) atoms. V(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Sr(2), two equivalent Sr(1), and one V(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one V(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one V(1) atom. Br(1) is bonded to six equivalent Sr(2) atoms to form face-sharing BrSr6 octahedra. is represented by the CIF card [CIF]
data_Sr5V3BrO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.456
_cell_length_b   10.456
_cell_length_c   7.381
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   698.823
_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
  Sr  Sr0  1  0.333  0.667  0.498  1.0
  Sr  Sr1  1  0.667  0.333  0.998  1.0
  Sr  Sr2  1  0.667  0.333  0.502  1.0
  Sr  Sr3  1  0.333  0.667  0.002  1.0
  Sr  Sr4  1  0.741  0.740  0.250  1.0
  Sr  Sr5  1  0.999  0.259  0.250  1.0
  Sr  Sr6  1  0.260  0.001  0.250  1.0
  Sr  Sr7  1  0.259  0.260  0.750  1.0
  Sr  Sr8  1  0.001  0.741  0.750  1.0
  Sr  Sr9  1  0.740  0.999  0.750  1.0
  V  V10  1  0.965  0.594  0.250  1.0
  V  V11  1  0.629  0.035  0.250  1.0
  V  V12  1  0.406  0.371  0.250  1.0
  V  V13  1  0.035  0.406  0.750  1.0
  V  V14  1  0.371  0.965  0.750  1.0
  V  V15  1  0.594  0.629  0.750  1.0
  Br  Br16  1  0.000  0.000  0.500  1.0
  Br  Br17  1  0.000  0.000  0.000  1.0
  O  O18  1  0.157  0.667  0.250  1.0
  O  O19  1  0.510  0.843  0.250  1.0
  O  O20  1  0.333  0.490  0.250  1.0
  O  O21  1  0.843  0.333  0.750  1.0
  O  O22  1  0.490  0.157  0.750  1.0
  O  O23  1  0.667  0.510  0.750  1.0
  O  O24  1  0.868  0.400  0.250  1.0
  O  O25  1  0.532  0.132  0.250  1.0
  O  O26  1  0.600  0.468  0.250  1.0
  O  O27  1  0.132  0.600  0.750  1.0
  O  O28  1  0.468  0.868  0.750  1.0
  O  O29  1  0.400  0.532  0.750  1.0
  O  O30  1  0.903  0.647  0.437  1.0
  O  O31  1  0.744  0.097  0.437  1.0
  O  O32  1  0.353  0.256  0.437  1.0
  O  O33  1  0.097  0.353  0.937  1.0
  O  O34  1  0.256  0.903  0.937  1.0
  O  O35  1  0.647  0.744  0.937  1.0
  O  O36  1  0.097  0.353  0.563  1.0
  O  O37  1  0.256  0.903  0.563  1.0
  O  O38  1  0.647  0.744  0.563  1.0
  O  O39  1  0.903  0.647  0.063  1.0
  O  O40  1  0.744  0.097  0.063  1.0
  O  O41  1  0.353  0.256  0.063  1.0
[/CIF]
.
The crystal structure described by Sr5(VO4)3Br crystallizes in the hexagonal P6_3/m space group. There are two 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(2), and three equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), four equivalent O(3), and two equivalent Br(1) atoms. V(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Sr(2), two equivalent Sr(1), and one V(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one V(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one V(1) atom. Br(1) is bonded to six equivalent Sr(2) atoms to form face-sharing BrSr6 octahedra. is represented by the CIF card [CIF]
data_Sr5V3BrO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.456
_cell_length_b   10.456
_cell_length_c   7.381
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   698.823
_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
  Sr  Sr0  1  0.333  0.667  0.498  1.0
  Sr  Sr1  1  0.667  0.333  0.998  1.0
  Sr  Sr2  1  0.667  0.333  0.502  1.0
  Sr  Sr3  1  0.333  0.667  0.002  1.0
  Sr  Sr4  1  0.741  0.740  0.250  1.0
  Sr  Sr5  1  0.999  0.259  0.250  1.0
  Sr  Sr6  1  0.260  0.001  0.250  1.0
  Sr  Sr7  1  0.259  0.260  0.750  1.0
  Sr  Sr8  1  0.001  0.741  0.750  1.0
  Sr  Sr9  1  0.740  0.999  0.750  1.0
  V  V10  1  0.965  0.594  0.250  1.0
  V  V11  1  0.629  0.035  0.250  1.0
  V  V12  1  0.406  0.371  0.250  1.0
  V  V13  1  0.035  0.406  0.750  1.0
  V  V14  1  0.371  0.965  0.750  1.0
  V  V15  1  0.594  0.629  0.750  1.0
  Br  Br16  1  0.000  0.000  0.500  1.0
  Br  Br17  1  0.000  0.000  0.000  1.0
  O  O18  1  0.157  0.667  0.250  1.0
  O  O19  1  0.510  0.843  0.250  1.0
  O  O20  1  0.333  0.490  0.250  1.0
  O  O21  1  0.843  0.333  0.750  1.0
  O  O22  1  0.490  0.157  0.750  1.0
  O  O23  1  0.667  0.510  0.750  1.0
  O  O24  1  0.868  0.400  0.250  1.0
  O  O25  1  0.532  0.132  0.250  1.0
  O  O26  1  0.600  0.468  0.250  1.0
  O  O27  1  0.132  0.600  0.750  1.0
  O  O28  1  0.468  0.868  0.750  1.0
  O  O29  1  0.400  0.532  0.750  1.0
  O  O30  1  0.903  0.647  0.437  1.0
  O  O31  1  0.744  0.097  0.437  1.0
  O  O32  1  0.353  0.256  0.437  1.0
  O  O33  1  0.097  0.353  0.937  1.0
  O  O34  1  0.256  0.903  0.937  1.0
  O  O35  1  0.647  0.744  0.937  1.0
  O  O36  1  0.097  0.353  0.563  1.0
  O  O37  1  0.256  0.903  0.563  1.0
  O  O38  1  0.647  0.744  0.563  1.0
  O  O39  1  0.903  0.647  0.063  1.0
  O  O40  1  0.744  0.097  0.063  1.0
  O  O41  1  0.353  0.256  0.063  1.0
[/CIF]
.