The compound described by SrFeP(O2F)2 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 10-coordinate geometry to one O(3), one O(4), two equivalent O(1), three equivalent O(2), 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 two equivalent O(1), two equivalent O(3), and two equivalent F(2) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(2)O2F4 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second Fe site, Fe(2) is bonded to two equivalent O(4), two equivalent F(1), and two equivalent F(2) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O2F4 octahedra and corners with two equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Sr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sr(1), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Fe(2), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Fe(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Sr(1), one Fe(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_SrFeP(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.442
_cell_length_b   5.266
_cell_length_c   7.839
_cell_angle_alpha   62.441
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   455.337
_cell_formula_units_Z   4
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  0.794  0.855  0.688  1.0
  Sr  Sr1  1  0.206  0.145  0.312  1.0
  Sr  Sr2  1  0.294  0.145  0.812  1.0
  Sr  Sr3  1  0.706  0.855  0.188  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.500  0.500  0.000  1.0
  Fe  Fe7  1  0.000  0.500  0.500  1.0
  P  P8  1  0.615  0.370  0.695  1.0
  P  P9  1  0.115  0.630  0.805  1.0
  P  P10  1  0.385  0.630  0.305  1.0
  P  P11  1  0.885  0.370  0.195  1.0
  O  O12  1  0.877  0.704  0.058  1.0
  O  O13  1  0.718  0.263  0.811  1.0
  O  O14  1  0.282  0.737  0.189  1.0
  O  O15  1  0.623  0.704  0.558  1.0
  O  O16  1  0.399  0.776  0.435  1.0
  O  O17  1  0.515  0.318  0.828  1.0
  O  O18  1  0.015  0.682  0.672  1.0
  O  O19  1  0.101  0.776  0.935  1.0
  O  O20  1  0.782  0.263  0.311  1.0
  O  O21  1  0.123  0.296  0.942  1.0
  O  O22  1  0.985  0.318  0.328  1.0
  O  O23  1  0.601  0.224  0.565  1.0
  O  O24  1  0.485  0.682  0.172  1.0
  O  O25  1  0.377  0.296  0.442  1.0
  O  O26  1  0.218  0.737  0.689  1.0
  O  O27  1  0.899  0.224  0.065  1.0
  F  F28  1  0.855  0.669  0.449  1.0
  F  F29  1  0.355  0.331  0.051  1.0
  F  F30  1  0.441  0.840  0.772  1.0
  F  F31  1  0.645  0.669  0.949  1.0
  F  F32  1  0.145  0.331  0.551  1.0
  F  F33  1  0.059  0.840  0.272  1.0
  F  F34  1  0.941  0.160  0.728  1.0
  F  F35  1  0.559  0.160  0.228  1.0
[/CIF]
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The compound described by SrFeP(O2F)2 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 10-coordinate geometry to one O(3), one O(4), two equivalent O(1), three equivalent O(2), 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 two equivalent O(1), two equivalent O(3), and two equivalent F(2) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(2)O2F4 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second Fe site, Fe(2) is bonded to two equivalent O(4), two equivalent F(1), and two equivalent F(2) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O2F4 octahedra and corners with two equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Sr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sr(1), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Fe(2), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Fe(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Sr(1), one Fe(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_SrFeP(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.442
_cell_length_b   5.266
_cell_length_c   7.839
_cell_angle_alpha   62.441
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   455.337
_cell_formula_units_Z   4
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  0.794  0.855  0.688  1.0
  Sr  Sr1  1  0.206  0.145  0.312  1.0
  Sr  Sr2  1  0.294  0.145  0.812  1.0
  Sr  Sr3  1  0.706  0.855  0.188  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.500  0.500  0.000  1.0
  Fe  Fe7  1  0.000  0.500  0.500  1.0
  P  P8  1  0.615  0.370  0.695  1.0
  P  P9  1  0.115  0.630  0.805  1.0
  P  P10  1  0.385  0.630  0.305  1.0
  P  P11  1  0.885  0.370  0.195  1.0
  O  O12  1  0.877  0.704  0.058  1.0
  O  O13  1  0.718  0.263  0.811  1.0
  O  O14  1  0.282  0.737  0.189  1.0
  O  O15  1  0.623  0.704  0.558  1.0
  O  O16  1  0.399  0.776  0.435  1.0
  O  O17  1  0.515  0.318  0.828  1.0
  O  O18  1  0.015  0.682  0.672  1.0
  O  O19  1  0.101  0.776  0.935  1.0
  O  O20  1  0.782  0.263  0.311  1.0
  O  O21  1  0.123  0.296  0.942  1.0
  O  O22  1  0.985  0.318  0.328  1.0
  O  O23  1  0.601  0.224  0.565  1.0
  O  O24  1  0.485  0.682  0.172  1.0
  O  O25  1  0.377  0.296  0.442  1.0
  O  O26  1  0.218  0.737  0.689  1.0
  O  O27  1  0.899  0.224  0.065  1.0
  F  F28  1  0.855  0.669  0.449  1.0
  F  F29  1  0.355  0.331  0.051  1.0
  F  F30  1  0.441  0.840  0.772  1.0
  F  F31  1  0.645  0.669  0.949  1.0
  F  F32  1  0.145  0.331  0.551  1.0
  F  F33  1  0.059  0.840  0.272  1.0
  F  F34  1  0.941  0.160  0.728  1.0
  F  F35  1  0.559  0.160  0.228  1.0
[/CIF]
.