The crystal structure described by KPH3O4F crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one F(1) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(4) atom. In the third H site, H(3) is bonded in a linear geometry to one O(2) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one P(1), one H(2), and one H(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(2) atom. F(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KPH3O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.116
_cell_length_b   11.983
_cell_length_c   6.963
_cell_angle_alpha   90.000
_cell_angle_beta   115.904
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   459.047
_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
  K  K0  1  0.149  0.133  0.887  1.0
  K  K1  1  0.149  0.367  0.387  1.0
  K  K2  1  0.851  0.633  0.613  1.0
  K  K3  1  0.851  0.867  0.113  1.0
  P  P4  1  0.347  0.860  0.592  1.0
  P  P5  1  0.653  0.360  0.908  1.0
  P  P6  1  0.347  0.640  0.092  1.0
  P  P7  1  0.653  0.140  0.408  1.0
  H  H8  1  0.027  0.886  0.709  1.0
  H  H9  1  0.027  0.614  0.209  1.0
  H  H10  1  0.452  0.706  0.783  1.0
  H  H11  1  0.466  0.522  0.810  1.0
  H  H12  1  0.534  0.022  0.690  1.0
  H  H13  1  0.548  0.206  0.717  1.0
  H  H14  1  0.452  0.794  0.283  1.0
  H  H15  1  0.466  0.978  0.310  1.0
  H  H16  1  0.534  0.478  0.190  1.0
  H  H17  1  0.548  0.294  0.217  1.0
  H  H18  1  0.973  0.386  0.791  1.0
  H  H19  1  0.973  0.114  0.291  1.0
  O  O20  1  0.095  0.835  0.567  1.0
  O  O21  1  0.363  0.621  0.884  1.0
  O  O22  1  0.095  0.665  0.067  1.0
  O  O23  1  0.446  0.965  0.740  1.0
  O  O24  1  0.478  0.261  0.789  1.0
  O  O25  1  0.522  0.761  0.711  1.0
  O  O26  1  0.363  0.879  0.384  1.0
  O  O27  1  0.554  0.465  0.760  1.0
  O  O28  1  0.446  0.535  0.240  1.0
  O  O29  1  0.637  0.121  0.616  1.0
  O  O30  1  0.478  0.239  0.289  1.0
  O  O31  1  0.522  0.739  0.211  1.0
  O  O32  1  0.554  0.035  0.260  1.0
  O  O33  1  0.905  0.335  0.933  1.0
  O  O34  1  0.637  0.379  0.116  1.0
  O  O35  1  0.905  0.165  0.433  1.0
  F  F36  1  0.020  0.424  0.684  1.0
  F  F37  1  0.020  0.076  0.184  1.0
  F  F38  1  0.980  0.924  0.816  1.0
  F  F39  1  0.980  0.576  0.316  1.0
[/CIF]
.
The crystal structure described by KPH3O4F crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one F(1) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(4) atom. In the third H site, H(3) is bonded in a linear geometry to one O(2) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one P(1), one H(2), and one H(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(2) atom. F(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KPH3O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.116
_cell_length_b   11.983
_cell_length_c   6.963
_cell_angle_alpha   90.000
_cell_angle_beta   115.904
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   459.047
_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
  K  K0  1  0.149  0.133  0.887  1.0
  K  K1  1  0.149  0.367  0.387  1.0
  K  K2  1  0.851  0.633  0.613  1.0
  K  K3  1  0.851  0.867  0.113  1.0
  P  P4  1  0.347  0.860  0.592  1.0
  P  P5  1  0.653  0.360  0.908  1.0
  P  P6  1  0.347  0.640  0.092  1.0
  P  P7  1  0.653  0.140  0.408  1.0
  H  H8  1  0.027  0.886  0.709  1.0
  H  H9  1  0.027  0.614  0.209  1.0
  H  H10  1  0.452  0.706  0.783  1.0
  H  H11  1  0.466  0.522  0.810  1.0
  H  H12  1  0.534  0.022  0.690  1.0
  H  H13  1  0.548  0.206  0.717  1.0
  H  H14  1  0.452  0.794  0.283  1.0
  H  H15  1  0.466  0.978  0.310  1.0
  H  H16  1  0.534  0.478  0.190  1.0
  H  H17  1  0.548  0.294  0.217  1.0
  H  H18  1  0.973  0.386  0.791  1.0
  H  H19  1  0.973  0.114  0.291  1.0
  O  O20  1  0.095  0.835  0.567  1.0
  O  O21  1  0.363  0.621  0.884  1.0
  O  O22  1  0.095  0.665  0.067  1.0
  O  O23  1  0.446  0.965  0.740  1.0
  O  O24  1  0.478  0.261  0.789  1.0
  O  O25  1  0.522  0.761  0.711  1.0
  O  O26  1  0.363  0.879  0.384  1.0
  O  O27  1  0.554  0.465  0.760  1.0
  O  O28  1  0.446  0.535  0.240  1.0
  O  O29  1  0.637  0.121  0.616  1.0
  O  O30  1  0.478  0.239  0.289  1.0
  O  O31  1  0.522  0.739  0.211  1.0
  O  O32  1  0.554  0.035  0.260  1.0
  O  O33  1  0.905  0.335  0.933  1.0
  O  O34  1  0.637  0.379  0.116  1.0
  O  O35  1  0.905  0.165  0.433  1.0
  F  F36  1  0.020  0.424  0.684  1.0
  F  F37  1  0.020  0.076  0.184  1.0
  F  F38  1  0.980  0.924  0.816  1.0
  F  F39  1  0.980  0.576  0.316  1.0
[/CIF]
.