The material described by Sr5Cr3O12F 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 F(1) atoms. Cr(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 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one Cr(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 Cr(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(1), two equivalent Sr(2), and one Cr(1) atom. F(1) is bonded to six equivalent Sr(2) atoms to form face-sharing FSr6 octahedra. is represented by the CIF file [CIF]
data_Sr5Cr3O12F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.272
_cell_length_b   9.908
_cell_length_c   9.908
_cell_angle_alpha   120.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   618.151
_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  0.500  0.667  0.333  1.0
  Sr  Sr1  1  1.000  0.333  0.667  1.0
  Sr  Sr2  1  0.500  0.333  0.667  1.0
  Sr  Sr3  1  0.000  0.667  0.333  1.0
  Sr  Sr4  1  0.750  0.236  0.006  1.0
  Sr  Sr5  1  0.750  0.994  0.231  1.0
  Sr  Sr6  1  0.750  0.769  0.764  1.0
  Sr  Sr7  1  0.250  0.764  0.994  1.0
  Sr  Sr8  1  0.250  0.006  0.769  1.0
  Sr  Sr9  1  0.250  0.231  0.236  1.0
  Cr  Cr10  1  0.750  0.027  0.625  1.0
  Cr  Cr11  1  0.750  0.375  0.403  1.0
  Cr  Cr12  1  0.750  0.597  0.973  1.0
  Cr  Cr13  1  0.250  0.973  0.375  1.0
  Cr  Cr14  1  0.250  0.625  0.597  1.0
  Cr  Cr15  1  0.250  0.403  0.027  1.0
  O  O16  1  0.750  0.830  0.523  1.0
  O  O17  1  0.750  0.477  0.307  1.0
  O  O18  1  0.750  0.693  0.170  1.0
  O  O19  1  0.250  0.170  0.477  1.0
  O  O20  1  0.250  0.523  0.693  1.0
  O  O21  1  0.250  0.307  0.830  1.0
  O  O22  1  0.750  0.124  0.523  1.0
  O  O23  1  0.750  0.477  0.601  1.0
  O  O24  1  0.750  0.399  0.876  1.0
  O  O25  1  0.250  0.876  0.477  1.0
  O  O26  1  0.250  0.523  0.399  1.0
  O  O27  1  0.250  0.601  0.124  1.0
  O  O28  1  0.564  0.090  0.743  1.0
  O  O29  1  0.564  0.257  0.347  1.0
  O  O30  1  0.564  0.653  0.909  1.0
  O  O31  1  0.064  0.910  0.257  1.0
  O  O32  1  0.064  0.743  0.653  1.0
  O  O33  1  0.064  0.347  0.091  1.0
  O  O34  1  0.436  0.910  0.257  1.0
  O  O35  1  0.436  0.743  0.653  1.0
  O  O36  1  0.436  0.347  0.091  1.0
  O  O37  1  0.936  0.090  0.743  1.0
  O  O38  1  0.936  0.257  0.347  1.0
  O  O39  1  0.936  0.653  0.909  1.0
  F  F40  1  0.500  0.000  0.000  1.0
  F  F41  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Sr5Cr3O12F 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 F(1) atoms. Cr(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 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one Cr(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 Cr(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(1), two equivalent Sr(2), and one Cr(1) atom. F(1) is bonded to six equivalent Sr(2) atoms to form face-sharing FSr6 octahedra. is represented by the CIF file [CIF]
data_Sr5Cr3O12F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.272
_cell_length_b   9.908
_cell_length_c   9.908
_cell_angle_alpha   120.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   618.151
_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  0.500  0.667  0.333  1.0
  Sr  Sr1  1  1.000  0.333  0.667  1.0
  Sr  Sr2  1  0.500  0.333  0.667  1.0
  Sr  Sr3  1  0.000  0.667  0.333  1.0
  Sr  Sr4  1  0.750  0.236  0.006  1.0
  Sr  Sr5  1  0.750  0.994  0.231  1.0
  Sr  Sr6  1  0.750  0.769  0.764  1.0
  Sr  Sr7  1  0.250  0.764  0.994  1.0
  Sr  Sr8  1  0.250  0.006  0.769  1.0
  Sr  Sr9  1  0.250  0.231  0.236  1.0
  Cr  Cr10  1  0.750  0.027  0.625  1.0
  Cr  Cr11  1  0.750  0.375  0.403  1.0
  Cr  Cr12  1  0.750  0.597  0.973  1.0
  Cr  Cr13  1  0.250  0.973  0.375  1.0
  Cr  Cr14  1  0.250  0.625  0.597  1.0
  Cr  Cr15  1  0.250  0.403  0.027  1.0
  O  O16  1  0.750  0.830  0.523  1.0
  O  O17  1  0.750  0.477  0.307  1.0
  O  O18  1  0.750  0.693  0.170  1.0
  O  O19  1  0.250  0.170  0.477  1.0
  O  O20  1  0.250  0.523  0.693  1.0
  O  O21  1  0.250  0.307  0.830  1.0
  O  O22  1  0.750  0.124  0.523  1.0
  O  O23  1  0.750  0.477  0.601  1.0
  O  O24  1  0.750  0.399  0.876  1.0
  O  O25  1  0.250  0.876  0.477  1.0
  O  O26  1  0.250  0.523  0.399  1.0
  O  O27  1  0.250  0.601  0.124  1.0
  O  O28  1  0.564  0.090  0.743  1.0
  O  O29  1  0.564  0.257  0.347  1.0
  O  O30  1  0.564  0.653  0.909  1.0
  O  O31  1  0.064  0.910  0.257  1.0
  O  O32  1  0.064  0.743  0.653  1.0
  O  O33  1  0.064  0.347  0.091  1.0
  O  O34  1  0.436  0.910  0.257  1.0
  O  O35  1  0.436  0.743  0.653  1.0
  O  O36  1  0.436  0.347  0.091  1.0
  O  O37  1  0.936  0.090  0.743  1.0
  O  O38  1  0.936  0.257  0.347  1.0
  O  O39  1  0.936  0.653  0.909  1.0
  F  F40  1  0.500  0.000  0.000  1.0
  F  F41  1  0.000  0.000  0.000  1.0
[/CIF]
.