The structure described by Ba2PdF6 crystallizes in the orthorhombic Cmce space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Ba(1) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one Pd(1) atom. is represented by the CIF file [CIF]
data_Ba2PdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.219
_cell_length_b   6.222
_cell_length_c   9.110
_cell_angle_alpha   109.968
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   331.314
_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
  Ba  Ba0  1  0.000  0.160  0.320  1.0
  Ba  Ba1  1  0.500  0.340  0.680  1.0
  Ba  Ba2  1  0.000  0.840  0.680  1.0
  Ba  Ba3  1  0.500  0.660  0.320  1.0
  Pd  Pd4  1  0.000  0.500  0.000  1.0
  Pd  Pd5  1  0.500  0.000  0.000  1.0
  F  F6  1  0.250  0.994  0.500  1.0
  F  F7  1  0.750  0.506  0.500  1.0
  F  F8  1  0.750  0.006  0.500  1.0
  F  F9  1  0.250  0.494  0.500  1.0
  F  F10  1  0.158  0.425  0.165  1.0
  F  F11  1  0.658  0.075  0.835  1.0
  F  F12  1  0.342  0.760  0.835  1.0
  F  F13  1  0.842  0.740  0.165  1.0
  F  F14  1  0.842  0.575  0.835  1.0
  F  F15  1  0.342  0.925  0.165  1.0
  F  F16  1  0.658  0.240  0.165  1.0
  F  F17  1  0.158  0.260  0.835  1.0
[/CIF]
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The structure described by Ba2PdF6 crystallizes in the orthorhombic Cmce space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Ba(1) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one Pd(1) atom. is represented by the CIF file [CIF]
data_Ba2PdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.219
_cell_length_b   6.222
_cell_length_c   9.110
_cell_angle_alpha   109.968
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   331.314
_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
  Ba  Ba0  1  0.000  0.160  0.320  1.0
  Ba  Ba1  1  0.500  0.340  0.680  1.0
  Ba  Ba2  1  0.000  0.840  0.680  1.0
  Ba  Ba3  1  0.500  0.660  0.320  1.0
  Pd  Pd4  1  0.000  0.500  0.000  1.0
  Pd  Pd5  1  0.500  0.000  0.000  1.0
  F  F6  1  0.250  0.994  0.500  1.0
  F  F7  1  0.750  0.506  0.500  1.0
  F  F8  1  0.750  0.006  0.500  1.0
  F  F9  1  0.250  0.494  0.500  1.0
  F  F10  1  0.158  0.425  0.165  1.0
  F  F11  1  0.658  0.075  0.835  1.0
  F  F12  1  0.342  0.760  0.835  1.0
  F  F13  1  0.842  0.740  0.165  1.0
  F  F14  1  0.842  0.575  0.835  1.0
  F  F15  1  0.342  0.925  0.165  1.0
  F  F16  1  0.658  0.240  0.165  1.0
  F  F17  1  0.158  0.260  0.835  1.0
[/CIF]
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