The compound described by K2PaF7 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(2), three equivalent F(1), and three equivalent F(3) atoms. Pa(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to three equivalent K(1) and one Pa(1) atom to form distorted FK3Pa tetrahedra that share corners with four equivalent F(2)K2Pa2 tetrahedra, corners with five equivalent F(1)K3Pa tetrahedra,  an edgeedge with one F(1)K3Pa tetrahedra, and edges with three equivalent F(2)K2Pa2 tetrahedra. In the second F site, F(2) is bonded to two equivalent K(1) and two equivalent Pa(1) atoms to form distorted FK2Pa2 tetrahedra that share corners with four equivalent F(1)K3Pa tetrahedra, corners with six equivalent F(2)K2Pa2 tetrahedra,  an edgeedge with one F(2)K2Pa2 tetrahedra, and edges with three equivalent F(1)K3Pa tetrahedra. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Pa(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent K(1) and one Pa(1) atom. is represented by the CIF card [CIF]
data_K2PaF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.687
_cell_length_b   7.618
_cell_length_c   7.719
_cell_angle_alpha   63.911
_cell_angle_beta   64.332
_cell_angle_gamma   63.964
_symmetry_Int_Tables_number   1
_cell_volume   302.964
_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  0.668  0.395  0.254  1.0
  K  K1  1  0.317  0.105  0.246  1.0
  K  K2  1  0.332  0.605  0.746  1.0
  K  K3  1  0.683  0.895  0.754  1.0
  Pa  Pa4  1  0.977  0.750  0.250  1.0
  Pa  Pa5  1  0.023  0.250  0.750  1.0
  F  F6  1  0.062  0.498  0.144  1.0
  F  F7  1  0.704  0.002  0.356  1.0
  F  F8  1  0.938  0.502  0.856  1.0
  F  F9  1  0.296  0.998  0.644  1.0
  F  F10  1  0.788  0.584  0.569  1.0
  F  F11  1  0.942  0.916  0.931  1.0
  F  F12  1  0.212  0.416  0.431  1.0
  F  F13  1  0.058  0.084  0.069  1.0
  F  F14  1  0.340  0.706  0.064  1.0
  F  F15  1  0.110  0.794  0.436  1.0
  F  F16  1  0.660  0.294  0.936  1.0
  F  F17  1  0.890  0.206  0.564  1.0
  F  F18  1  0.648  0.750  0.250  1.0
  F  F19  1  0.352  0.250  0.750  1.0
[/CIF]
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The compound described by K2PaF7 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(2), three equivalent F(1), and three equivalent F(3) atoms. Pa(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to three equivalent K(1) and one Pa(1) atom to form distorted FK3Pa tetrahedra that share corners with four equivalent F(2)K2Pa2 tetrahedra, corners with five equivalent F(1)K3Pa tetrahedra,  an edgeedge with one F(1)K3Pa tetrahedra, and edges with three equivalent F(2)K2Pa2 tetrahedra. In the second F site, F(2) is bonded to two equivalent K(1) and two equivalent Pa(1) atoms to form distorted FK2Pa2 tetrahedra that share corners with four equivalent F(1)K3Pa tetrahedra, corners with six equivalent F(2)K2Pa2 tetrahedra,  an edgeedge with one F(2)K2Pa2 tetrahedra, and edges with three equivalent F(1)K3Pa tetrahedra. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Pa(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent K(1) and one Pa(1) atom. is represented by the CIF card [CIF]
data_K2PaF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.687
_cell_length_b   7.618
_cell_length_c   7.719
_cell_angle_alpha   63.911
_cell_angle_beta   64.332
_cell_angle_gamma   63.964
_symmetry_Int_Tables_number   1
_cell_volume   302.964
_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  0.668  0.395  0.254  1.0
  K  K1  1  0.317  0.105  0.246  1.0
  K  K2  1  0.332  0.605  0.746  1.0
  K  K3  1  0.683  0.895  0.754  1.0
  Pa  Pa4  1  0.977  0.750  0.250  1.0
  Pa  Pa5  1  0.023  0.250  0.750  1.0
  F  F6  1  0.062  0.498  0.144  1.0
  F  F7  1  0.704  0.002  0.356  1.0
  F  F8  1  0.938  0.502  0.856  1.0
  F  F9  1  0.296  0.998  0.644  1.0
  F  F10  1  0.788  0.584  0.569  1.0
  F  F11  1  0.942  0.916  0.931  1.0
  F  F12  1  0.212  0.416  0.431  1.0
  F  F13  1  0.058  0.084  0.069  1.0
  F  F14  1  0.340  0.706  0.064  1.0
  F  F15  1  0.110  0.794  0.436  1.0
  F  F16  1  0.660  0.294  0.936  1.0
  F  F17  1  0.890  0.206  0.564  1.0
  F  F18  1  0.648  0.750  0.250  1.0
  F  F19  1  0.352  0.250  0.750  1.0
[/CIF]
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