The material described by K2P2O5F2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 7-coordinate geometry to three equivalent O(1), three equivalent O(3), and one F(1) atom. P(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form corner-sharing PO3F tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent K(1) and one P(1) atom. F(1) is bonded in a single-bond geometry to one K(1) and one P(1) atom. is represented by the CIF file [CIF]
data_K2P2O5F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.519
_cell_length_b   7.519
_cell_length_c   7.355
_cell_angle_alpha   89.398
_cell_angle_beta   89.398
_cell_angle_gamma   61.992
_symmetry_Int_Tables_number   1
_cell_volume   367.121
_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
  K  K0  1  0.220  0.500  0.362  1.0
  K  K1  1  0.780  0.500  0.638  1.0
  K  K2  1  0.500  0.220  0.862  1.0
  K  K3  1  0.500  0.780  0.138  1.0
  P  P4  1  0.702  0.105  0.356  1.0
  P  P5  1  0.105  0.702  0.856  1.0
  P  P6  1  0.298  0.895  0.644  1.0
  P  P7  1  0.895  0.298  0.144  1.0
  O  O8  1  0.639  0.239  0.518  1.0
  O  O9  1  0.361  0.761  0.482  1.0
  O  O10  1  0.110  0.890  0.750  1.0
  O  O11  1  0.761  0.361  0.982  1.0
  O  O12  1  0.239  0.639  0.018  1.0
  O  O13  1  0.883  0.455  0.275  1.0
  O  O14  1  0.117  0.545  0.725  1.0
  O  O15  1  0.545  0.117  0.225  1.0
  O  O16  1  0.455  0.883  0.775  1.0
  O  O17  1  0.890  0.110  0.250  1.0
  F  F18  1  0.823  0.876  0.424  1.0
  F  F19  1  0.177  0.124  0.576  1.0
  F  F20  1  0.876  0.823  0.924  1.0
  F  F21  1  0.124  0.177  0.076  1.0
[/CIF]
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The material described by K2P2O5F2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 7-coordinate geometry to three equivalent O(1), three equivalent O(3), and one F(1) atom. P(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form corner-sharing PO3F tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent K(1) and one P(1) atom. F(1) is bonded in a single-bond geometry to one K(1) and one P(1) atom. is represented by the CIF file [CIF]
data_K2P2O5F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.519
_cell_length_b   7.519
_cell_length_c   7.355
_cell_angle_alpha   89.398
_cell_angle_beta   89.398
_cell_angle_gamma   61.992
_symmetry_Int_Tables_number   1
_cell_volume   367.121
_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
  K  K0  1  0.220  0.500  0.362  1.0
  K  K1  1  0.780  0.500  0.638  1.0
  K  K2  1  0.500  0.220  0.862  1.0
  K  K3  1  0.500  0.780  0.138  1.0
  P  P4  1  0.702  0.105  0.356  1.0
  P  P5  1  0.105  0.702  0.856  1.0
  P  P6  1  0.298  0.895  0.644  1.0
  P  P7  1  0.895  0.298  0.144  1.0
  O  O8  1  0.639  0.239  0.518  1.0
  O  O9  1  0.361  0.761  0.482  1.0
  O  O10  1  0.110  0.890  0.750  1.0
  O  O11  1  0.761  0.361  0.982  1.0
  O  O12  1  0.239  0.639  0.018  1.0
  O  O13  1  0.883  0.455  0.275  1.0
  O  O14  1  0.117  0.545  0.725  1.0
  O  O15  1  0.545  0.117  0.225  1.0
  O  O16  1  0.455  0.883  0.775  1.0
  O  O17  1  0.890  0.110  0.250  1.0
  F  F18  1  0.823  0.876  0.424  1.0
  F  F19  1  0.177  0.124  0.576  1.0
  F  F20  1  0.876  0.823  0.924  1.0
  F  F21  1  0.124  0.177  0.076  1.0
[/CIF]
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