The compound described by Sr2Fe2P3(O6F)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(11), one O(2), one O(4), one O(5), one O(6), one F(1), and two equivalent F(2) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(3), one O(4), one O(7), one O(8), one F(2), and two equivalent F(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(2), one O(5), one O(8), and one F(2) atom to form FeO5F octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(3), one O(6), one O(7), one O(9), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(12), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O5F octahedra and corners with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 13-49°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O5F octahedra and corners with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 14-43°. In the third P site, P(3) is bonded to one O(10), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O5F octahedra and corners with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 34-45°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sr(2) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(1), and one P(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Sr(2), one Fe(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Sr(1), one Fe(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Sr(2), one Fe(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Sr(2), one Fe(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Fe(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Sr(2), one Fe(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Fe(1) and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Sr(1), two equivalent Sr(2), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing FSr3Fe tetrahedra. In the second F site, F(2) is bonded to one Sr(2), two equivalent Sr(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing FSr3Fe tetrahedra. is represented by the CIF file [CIF]
data_Sr2Fe2P3(O6F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.215
_cell_length_b   8.866
_cell_length_c   8.982
_cell_angle_alpha   102.340
_cell_angle_beta   115.758
_cell_angle_gamma   90.085
_symmetry_Int_Tables_number   1
_cell_volume   572.237
_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  0.608  0.299  0.420  1.0
  Sr  Sr1  1  0.392  0.701  0.580  1.0
  Sr  Sr2  1  0.802  0.802  0.428  1.0
  Sr  Sr3  1  0.198  0.198  0.572  1.0
  Fe  Fe4  1  0.328  0.572  0.165  1.0
  Fe  Fe5  1  0.672  0.428  0.835  1.0
  Fe  Fe6  1  0.169  0.923  0.837  1.0
  Fe  Fe7  1  0.831  0.077  0.163  1.0
  P  P8  1  0.000  0.563  0.758  1.0
  P  P9  1  1.000  0.437  0.242  1.0
  P  P10  1  0.766  0.053  0.756  1.0
  P  P11  1  0.234  0.947  0.244  1.0
  P  P12  1  0.450  0.255  0.999  1.0
  P  P13  1  0.550  0.745  0.001  1.0
  O  O14  1  0.076  0.459  0.645  1.0
  O  O15  1  0.924  0.541  0.355  1.0
  O  O16  1  0.704  0.212  0.720  1.0
  O  O17  1  0.296  0.788  0.280  1.0
  O  O18  1  0.944  0.031  0.736  1.0
  O  O19  1  0.056  0.969  0.264  1.0
  O  O20  1  0.621  0.924  0.612  1.0
  O  O21  1  0.379  0.076  0.388  1.0
  O  O22  1  0.368  0.351  0.111  1.0
  O  O23  1  0.632  0.649  0.889  1.0
  O  O24  1  0.625  0.206  0.130  1.0
  O  O25  1  0.375  0.794  0.870  1.0
  O  O26  1  0.986  0.728  0.725  1.0
  O  O27  1  0.014  0.272  0.275  1.0
  O  O28  1  0.482  0.347  0.885  1.0
  O  O29  1  0.518  0.653  0.115  1.0
  O  O30  1  0.792  0.040  0.931  1.0
  O  O31  1  0.208  0.960  0.069  1.0
  O  O32  1  0.314  0.116  0.867  1.0
  O  O33  1  0.686  0.884  0.133  1.0
  O  O34  1  0.806  0.492  0.710  1.0
  O  O35  1  0.194  0.508  0.290  1.0
  O  O36  1  0.127  0.568  0.945  1.0
  O  O37  1  0.873  0.432  0.055  1.0
  F  F38  1  0.151  0.887  0.589  1.0
  F  F39  1  0.849  0.113  0.411  1.0
  F  F40  1  0.553  0.590  0.401  1.0
  F  F41  1  0.447  0.410  0.599  1.0
[/CIF]
.
The compound described by Sr2Fe2P3(O6F)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(11), one O(2), one O(4), one O(5), one O(6), one F(1), and two equivalent F(2) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(3), one O(4), one O(7), one O(8), one F(2), and two equivalent F(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(2), one O(5), one O(8), and one F(2) atom to form FeO5F octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(3), one O(6), one O(7), one O(9), and one F(1) atom to form FeO5F octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(12), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O5F octahedra and corners with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 13-49°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O5F octahedra and corners with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 14-43°. In the third P site, P(3) is bonded to one O(10), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O5F octahedra and corners with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 34-45°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sr(2) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(1), and one P(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Sr(2), one Fe(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Sr(1), one Fe(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Sr(2), one Fe(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Sr(2), one Fe(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Fe(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Sr(2), one Fe(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Fe(1) and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Sr(1), two equivalent Sr(2), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing FSr3Fe tetrahedra. In the second F site, F(2) is bonded to one Sr(2), two equivalent Sr(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing FSr3Fe tetrahedra. is represented by the CIF file [CIF]
data_Sr2Fe2P3(O6F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.215
_cell_length_b   8.866
_cell_length_c   8.982
_cell_angle_alpha   102.340
_cell_angle_beta   115.758
_cell_angle_gamma   90.085
_symmetry_Int_Tables_number   1
_cell_volume   572.237
_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  0.608  0.299  0.420  1.0
  Sr  Sr1  1  0.392  0.701  0.580  1.0
  Sr  Sr2  1  0.802  0.802  0.428  1.0
  Sr  Sr3  1  0.198  0.198  0.572  1.0
  Fe  Fe4  1  0.328  0.572  0.165  1.0
  Fe  Fe5  1  0.672  0.428  0.835  1.0
  Fe  Fe6  1  0.169  0.923  0.837  1.0
  Fe  Fe7  1  0.831  0.077  0.163  1.0
  P  P8  1  0.000  0.563  0.758  1.0
  P  P9  1  1.000  0.437  0.242  1.0
  P  P10  1  0.766  0.053  0.756  1.0
  P  P11  1  0.234  0.947  0.244  1.0
  P  P12  1  0.450  0.255  0.999  1.0
  P  P13  1  0.550  0.745  0.001  1.0
  O  O14  1  0.076  0.459  0.645  1.0
  O  O15  1  0.924  0.541  0.355  1.0
  O  O16  1  0.704  0.212  0.720  1.0
  O  O17  1  0.296  0.788  0.280  1.0
  O  O18  1  0.944  0.031  0.736  1.0
  O  O19  1  0.056  0.969  0.264  1.0
  O  O20  1  0.621  0.924  0.612  1.0
  O  O21  1  0.379  0.076  0.388  1.0
  O  O22  1  0.368  0.351  0.111  1.0
  O  O23  1  0.632  0.649  0.889  1.0
  O  O24  1  0.625  0.206  0.130  1.0
  O  O25  1  0.375  0.794  0.870  1.0
  O  O26  1  0.986  0.728  0.725  1.0
  O  O27  1  0.014  0.272  0.275  1.0
  O  O28  1  0.482  0.347  0.885  1.0
  O  O29  1  0.518  0.653  0.115  1.0
  O  O30  1  0.792  0.040  0.931  1.0
  O  O31  1  0.208  0.960  0.069  1.0
  O  O32  1  0.314  0.116  0.867  1.0
  O  O33  1  0.686  0.884  0.133  1.0
  O  O34  1  0.806  0.492  0.710  1.0
  O  O35  1  0.194  0.508  0.290  1.0
  O  O36  1  0.127  0.568  0.945  1.0
  O  O37  1  0.873  0.432  0.055  1.0
  F  F38  1  0.151  0.887  0.589  1.0
  F  F39  1  0.849  0.113  0.411  1.0
  F  F40  1  0.553  0.590  0.401  1.0
  F  F41  1  0.447  0.410  0.599  1.0
[/CIF]
.