The material structure described by Sr5(PO4)3F 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 7-coordinate geometry to one O(1), one O(3), four equivalent O(2), and one F(1) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Sr(2), two equivalent Sr(1), and one P(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one P(1) atom. In the third O site, O(2) is bonded in a 1-coordinate geometry to one Sr(1), two equivalent Sr(2), and one P(1) atom. F(1) is bonded in a trigonal planar geometry to three equivalent Sr(2) atoms. is represented by the CIF card [CIF]
data_Sr5P3O12F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.850
_cell_length_b   9.850
_cell_length_c   7.359
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   618.327
_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  0.667  0.333  0.500  1.0
  Sr  Sr1  1  0.333  0.667  1.000  1.0
  Sr  Sr2  1  0.333  0.667  0.500  1.0
  Sr  Sr3  1  0.667  0.333  0.000  1.0
  Sr  Sr4  1  0.758  0.011  0.750  1.0
  Sr  Sr5  1  0.747  0.758  0.250  1.0
  Sr  Sr6  1  0.011  0.253  0.250  1.0
  Sr  Sr7  1  0.989  0.747  0.750  1.0
  Sr  Sr8  1  0.253  0.242  0.750  1.0
  Sr  Sr9  1  0.242  0.989  0.250  1.0
  P  P10  1  0.031  0.399  0.750  1.0
  P  P11  1  0.632  0.031  0.250  1.0
  P  P12  1  0.399  0.368  0.250  1.0
  P  P13  1  0.601  0.632  0.750  1.0
  P  P14  1  0.368  0.969  0.750  1.0
  P  P15  1  0.969  0.601  0.250  1.0
  O  O16  1  0.119  0.582  0.750  1.0
  O  O17  1  0.537  0.119  0.250  1.0
  O  O18  1  0.582  0.463  0.250  1.0
  O  O19  1  0.418  0.537  0.750  1.0
  O  O20  1  0.463  0.881  0.750  1.0
  O  O21  1  0.881  0.418  0.250  1.0
  O  O22  1  0.344  0.261  0.421  1.0
  O  O23  1  0.084  0.344  0.921  1.0
  O  O24  1  0.261  0.916  0.921  1.0
  O  O25  1  0.739  0.084  0.421  1.0
  O  O26  1  0.916  0.656  0.421  1.0
  O  O27  1  0.656  0.739  0.921  1.0
  O  O28  1  0.656  0.739  0.579  1.0
  O  O29  1  0.916  0.656  0.079  1.0
  O  O30  1  0.739  0.084  0.079  1.0
  O  O31  1  0.261  0.916  0.579  1.0
  O  O32  1  0.084  0.344  0.579  1.0
  O  O33  1  0.344  0.261  0.079  1.0
  O  O34  1  0.150  0.670  0.250  1.0
  O  O35  1  0.480  0.150  0.750  1.0
  O  O36  1  0.670  0.520  0.750  1.0
  O  O37  1  0.330  0.480  0.250  1.0
  O  O38  1  0.520  0.850  0.250  1.0
  O  O39  1  0.850  0.330  0.750  1.0
  F  F40  1  0.000  0.000  0.750  1.0
  F  F41  1  0.000  0.000  0.250  1.0
[/CIF]
.
The material structure described by Sr5(PO4)3F 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 7-coordinate geometry to one O(1), one O(3), four equivalent O(2), and one F(1) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Sr(2), two equivalent Sr(1), and one P(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one P(1) atom. In the third O site, O(2) is bonded in a 1-coordinate geometry to one Sr(1), two equivalent Sr(2), and one P(1) atom. F(1) is bonded in a trigonal planar geometry to three equivalent Sr(2) atoms. is represented by the CIF card [CIF]
data_Sr5P3O12F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.850
_cell_length_b   9.850
_cell_length_c   7.359
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   618.327
_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  0.667  0.333  0.500  1.0
  Sr  Sr1  1  0.333  0.667  1.000  1.0
  Sr  Sr2  1  0.333  0.667  0.500  1.0
  Sr  Sr3  1  0.667  0.333  0.000  1.0
  Sr  Sr4  1  0.758  0.011  0.750  1.0
  Sr  Sr5  1  0.747  0.758  0.250  1.0
  Sr  Sr6  1  0.011  0.253  0.250  1.0
  Sr  Sr7  1  0.989  0.747  0.750  1.0
  Sr  Sr8  1  0.253  0.242  0.750  1.0
  Sr  Sr9  1  0.242  0.989  0.250  1.0
  P  P10  1  0.031  0.399  0.750  1.0
  P  P11  1  0.632  0.031  0.250  1.0
  P  P12  1  0.399  0.368  0.250  1.0
  P  P13  1  0.601  0.632  0.750  1.0
  P  P14  1  0.368  0.969  0.750  1.0
  P  P15  1  0.969  0.601  0.250  1.0
  O  O16  1  0.119  0.582  0.750  1.0
  O  O17  1  0.537  0.119  0.250  1.0
  O  O18  1  0.582  0.463  0.250  1.0
  O  O19  1  0.418  0.537  0.750  1.0
  O  O20  1  0.463  0.881  0.750  1.0
  O  O21  1  0.881  0.418  0.250  1.0
  O  O22  1  0.344  0.261  0.421  1.0
  O  O23  1  0.084  0.344  0.921  1.0
  O  O24  1  0.261  0.916  0.921  1.0
  O  O25  1  0.739  0.084  0.421  1.0
  O  O26  1  0.916  0.656  0.421  1.0
  O  O27  1  0.656  0.739  0.921  1.0
  O  O28  1  0.656  0.739  0.579  1.0
  O  O29  1  0.916  0.656  0.079  1.0
  O  O30  1  0.739  0.084  0.079  1.0
  O  O31  1  0.261  0.916  0.579  1.0
  O  O32  1  0.084  0.344  0.579  1.0
  O  O33  1  0.344  0.261  0.079  1.0
  O  O34  1  0.150  0.670  0.250  1.0
  O  O35  1  0.480  0.150  0.750  1.0
  O  O36  1  0.670  0.520  0.750  1.0
  O  O37  1  0.330  0.480  0.250  1.0
  O  O38  1  0.520  0.850  0.250  1.0
  O  O39  1  0.850  0.330  0.750  1.0
  F  F40  1  0.000  0.000  0.750  1.0
  F  F41  1  0.000  0.000  0.250  1.0
[/CIF]
.