The compound described by VFeP2(O4F)2 crystallizes in the triclinic P-1 space group. V(1) is bonded in a distorted hexagonal planar geometry to two equivalent P(1), two equivalent O(3), and two equivalent O(4) atoms. Fe(1) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent O(2) atoms. P(1) is bonded in a 2-coordinate geometry to one V(1), one Fe(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one F(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one P(1), and one O(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(1) and one F(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(1) and one P(1) atom. F(1) is bonded in a water-like geometry to one O(1) and one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VFeP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.103
_cell_length_b   5.281
_cell_length_c   7.387
_cell_angle_alpha   109.244
_cell_angle_beta   106.178
_cell_angle_gamma   96.011
_symmetry_Int_Tables_number   1
_cell_volume   176.214
_cell_formula_units_Z   1
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
  V  V0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  P  P2  1  0.912  0.598  0.759  1.0
  P  P3  1  0.088  0.402  0.241  1.0
  O  O4  1  0.438  0.306  0.918  1.0
  O  O5  1  0.132  0.605  0.607  1.0
  O  O6  1  0.030  0.996  0.666  1.0
  O  O7  1  0.014  0.579  0.117  1.0
  O  O8  1  0.986  0.421  0.883  1.0
  O  O9  1  0.970  0.004  0.334  1.0
  O  O10  1  0.868  0.395  0.393  1.0
  O  O11  1  0.562  0.694  0.082  1.0
  F  F12  1  0.635  0.805  0.250  1.0
  F  F13  1  0.365  0.195  0.750  1.0
[/CIF]
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The compound described by VFeP2(O4F)2 crystallizes in the triclinic P-1 space group. V(1) is bonded in a distorted hexagonal planar geometry to two equivalent P(1), two equivalent O(3), and two equivalent O(4) atoms. Fe(1) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent O(2) atoms. P(1) is bonded in a 2-coordinate geometry to one V(1), one Fe(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one F(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one P(1), and one O(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(1) and one F(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(1) and one P(1) atom. F(1) is bonded in a water-like geometry to one O(1) and one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VFeP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.103
_cell_length_b   5.281
_cell_length_c   7.387
_cell_angle_alpha   109.244
_cell_angle_beta   106.178
_cell_angle_gamma   96.011
_symmetry_Int_Tables_number   1
_cell_volume   176.214
_cell_formula_units_Z   1
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
  V  V0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  P  P2  1  0.912  0.598  0.759  1.0
  P  P3  1  0.088  0.402  0.241  1.0
  O  O4  1  0.438  0.306  0.918  1.0
  O  O5  1  0.132  0.605  0.607  1.0
  O  O6  1  0.030  0.996  0.666  1.0
  O  O7  1  0.014  0.579  0.117  1.0
  O  O8  1  0.986  0.421  0.883  1.0
  O  O9  1  0.970  0.004  0.334  1.0
  O  O10  1  0.868  0.395  0.393  1.0
  O  O11  1  0.562  0.694  0.082  1.0
  F  F12  1  0.635  0.805  0.250  1.0
  F  F13  1  0.365  0.195  0.750  1.0
[/CIF]
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