The structure described by KPd2F5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing PdF6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second Pd site, Pd(2) is bonded in a rectangular see-saw-like geometry to two equivalent F(1) and two equivalent F(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one K(1), one Pd(1), and one Pd(2) atom. In the second F site, F(2) is bonded to two equivalent K(1), one Pd(1), and one Pd(2) atom to form a mixture of distorted edge and corner-sharing FK2Pd2 tetrahedra. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_KPd2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.086
_cell_length_b   7.453
_cell_length_c   10.650
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.085
_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  0.017  0.250  0.368  1.0
  K  K1  1  0.517  0.250  0.132  1.0
  K  K2  1  0.983  0.750  0.632  1.0
  K  K3  1  0.483  0.750  0.868  1.0
  Pd  Pd4  1  0.500  0.000  0.500  1.0
  Pd  Pd5  1  0.000  0.500  0.000  1.0
  Pd  Pd6  1  0.500  0.500  0.500  1.0
  Pd  Pd7  1  0.000  0.000  0.000  1.0
  Pd  Pd8  1  0.192  0.250  0.714  1.0
  Pd  Pd9  1  0.692  0.250  0.786  1.0
  Pd  Pd10  1  0.808  0.750  0.286  1.0
  Pd  Pd11  1  0.308  0.750  0.214  1.0
  F  F12  1  0.709  0.055  0.660  1.0
  F  F13  1  0.209  0.445  0.840  1.0
  F  F14  1  0.291  0.555  0.340  1.0
  F  F15  1  0.791  0.945  0.160  1.0
  F  F16  1  0.291  0.945  0.340  1.0
  F  F17  1  0.791  0.555  0.160  1.0
  F  F18  1  0.709  0.445  0.660  1.0
  F  F19  1  0.209  0.055  0.840  1.0
  F  F20  1  0.818  0.933  0.420  1.0
  F  F21  1  0.318  0.567  0.080  1.0
  F  F22  1  0.182  0.433  0.580  1.0
  F  F23  1  0.682  0.067  0.920  1.0
  F  F24  1  0.049  0.250  0.099  1.0
  F  F25  1  0.549  0.250  0.401  1.0
  F  F26  1  0.951  0.750  0.901  1.0
  F  F27  1  0.451  0.750  0.599  1.0
  F  F28  1  0.318  0.933  0.080  1.0
  F  F29  1  0.818  0.567  0.420  1.0
  F  F30  1  0.682  0.433  0.920  1.0
  F  F31  1  0.182  0.067  0.580  1.0
[/CIF]
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The structure described by KPd2F5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing PdF6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second Pd site, Pd(2) is bonded in a rectangular see-saw-like geometry to two equivalent F(1) and two equivalent F(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one K(1), one Pd(1), and one Pd(2) atom. In the second F site, F(2) is bonded to two equivalent K(1), one Pd(1), and one Pd(2) atom to form a mixture of distorted edge and corner-sharing FK2Pd2 tetrahedra. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_KPd2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.086
_cell_length_b   7.453
_cell_length_c   10.650
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.085
_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  0.017  0.250  0.368  1.0
  K  K1  1  0.517  0.250  0.132  1.0
  K  K2  1  0.983  0.750  0.632  1.0
  K  K3  1  0.483  0.750  0.868  1.0
  Pd  Pd4  1  0.500  0.000  0.500  1.0
  Pd  Pd5  1  0.000  0.500  0.000  1.0
  Pd  Pd6  1  0.500  0.500  0.500  1.0
  Pd  Pd7  1  0.000  0.000  0.000  1.0
  Pd  Pd8  1  0.192  0.250  0.714  1.0
  Pd  Pd9  1  0.692  0.250  0.786  1.0
  Pd  Pd10  1  0.808  0.750  0.286  1.0
  Pd  Pd11  1  0.308  0.750  0.214  1.0
  F  F12  1  0.709  0.055  0.660  1.0
  F  F13  1  0.209  0.445  0.840  1.0
  F  F14  1  0.291  0.555  0.340  1.0
  F  F15  1  0.791  0.945  0.160  1.0
  F  F16  1  0.291  0.945  0.340  1.0
  F  F17  1  0.791  0.555  0.160  1.0
  F  F18  1  0.709  0.445  0.660  1.0
  F  F19  1  0.209  0.055  0.840  1.0
  F  F20  1  0.818  0.933  0.420  1.0
  F  F21  1  0.318  0.567  0.080  1.0
  F  F22  1  0.182  0.433  0.580  1.0
  F  F23  1  0.682  0.067  0.920  1.0
  F  F24  1  0.049  0.250  0.099  1.0
  F  F25  1  0.549  0.250  0.401  1.0
  F  F26  1  0.951  0.750  0.901  1.0
  F  F27  1  0.451  0.750  0.599  1.0
  F  F28  1  0.318  0.933  0.080  1.0
  F  F29  1  0.818  0.567  0.420  1.0
  F  F30  1  0.682  0.433  0.920  1.0
  F  F31  1  0.182  0.067  0.580  1.0
[/CIF]
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