The material structure described by VCrP2(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. Cr(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 Cr(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 2-coordinate geometry to one Cr(1) and one P(1) 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_VCrP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   5.292
_cell_length_c   7.323
_cell_angle_alpha   109.469
_cell_angle_beta   106.665
_cell_angle_gamma   96.424
_symmetry_Int_Tables_number   1
_cell_volume   173.806
_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
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  P  P2  1  0.918  0.604  0.755  1.0
  P  P3  1  0.082  0.396  0.245  1.0
  O  O4  1  0.442  0.308  0.914  1.0
  O  O5  1  0.143  0.625  0.598  1.0
  O  O6  1  0.024  0.995  0.668  1.0
  O  O7  1  0.012  0.580  0.118  1.0
  O  O8  1  0.988  0.420  0.882  1.0
  O  O9  1  0.976  0.005  0.332  1.0
  O  O10  1  0.857  0.375  0.402  1.0
  O  O11  1  0.558  0.692  0.086  1.0
  F  F12  1  0.631  0.798  0.256  1.0
  F  F13  1  0.369  0.202  0.744  1.0
[/CIF]
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The material structure described by VCrP2(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. Cr(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 Cr(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 2-coordinate geometry to one Cr(1) and one P(1) 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_VCrP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   5.292
_cell_length_c   7.323
_cell_angle_alpha   109.469
_cell_angle_beta   106.665
_cell_angle_gamma   96.424
_symmetry_Int_Tables_number   1
_cell_volume   173.806
_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
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  P  P2  1  0.918  0.604  0.755  1.0
  P  P3  1  0.082  0.396  0.245  1.0
  O  O4  1  0.442  0.308  0.914  1.0
  O  O5  1  0.143  0.625  0.598  1.0
  O  O6  1  0.024  0.995  0.668  1.0
  O  O7  1  0.012  0.580  0.118  1.0
  O  O8  1  0.988  0.420  0.882  1.0
  O  O9  1  0.976  0.005  0.332  1.0
  O  O10  1  0.857  0.375  0.402  1.0
  O  O11  1  0.558  0.692  0.086  1.0
  F  F12  1  0.631  0.798  0.256  1.0
  F  F13  1  0.369  0.202  0.744  1.0
[/CIF]
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