The material structure described by BaSrPdF6 crystallizes in the orthorhombic Aea2 space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(3) atoms. Pd(1) is bonded in a rectangular see-saw-like geometry to two equivalent F(2) and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Ba(1) and two equivalent Sr(1) atoms to form a mixture of corner and edge-sharing FBa2Sr2 tetrahedra. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Pd(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Sr(1) and one Pd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrPdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.106
_cell_length_b   9.106
_cell_length_c   6.066
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   140.906
_symmetry_Int_Tables_number   1
_cell_volume   317.188
_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  0.336  0.664  0.500  1.0
  Ba  Ba1  1  0.836  0.164  0.000  1.0
  Sr  Sr2  1  0.660  0.340  0.500  1.0
  Sr  Sr3  1  0.160  0.840  0.000  1.0
  Pd  Pd4  1  0.004  0.996  0.500  1.0
  Pd  Pd5  1  0.504  0.496  0.000  1.0
  F  F6  1  0.497  0.011  0.247  1.0
  F  F7  1  0.989  0.503  0.753  1.0
  F  F8  1  0.489  0.003  0.747  1.0
  F  F9  1  0.997  0.511  0.253  1.0
  F  F10  1  0.081  0.243  0.341  1.0
  F  F11  1  0.757  0.919  0.659  1.0
  F  F12  1  0.257  0.419  0.841  1.0
  F  F13  1  0.581  0.743  0.159  1.0
  F  F14  1  0.920  0.745  0.661  1.0
  F  F15  1  0.255  0.080  0.339  1.0
  F  F16  1  0.755  0.580  0.161  1.0
  F  F17  1  0.420  0.245  0.839  1.0
[/CIF]
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The material structure described by BaSrPdF6 crystallizes in the orthorhombic Aea2 space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(3) atoms. Pd(1) is bonded in a rectangular see-saw-like geometry to two equivalent F(2) and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Ba(1) and two equivalent Sr(1) atoms to form a mixture of corner and edge-sharing FBa2Sr2 tetrahedra. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Pd(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Sr(1) and one Pd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrPdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.106
_cell_length_b   9.106
_cell_length_c   6.066
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   140.906
_symmetry_Int_Tables_number   1
_cell_volume   317.188
_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  0.336  0.664  0.500  1.0
  Ba  Ba1  1  0.836  0.164  0.000  1.0
  Sr  Sr2  1  0.660  0.340  0.500  1.0
  Sr  Sr3  1  0.160  0.840  0.000  1.0
  Pd  Pd4  1  0.004  0.996  0.500  1.0
  Pd  Pd5  1  0.504  0.496  0.000  1.0
  F  F6  1  0.497  0.011  0.247  1.0
  F  F7  1  0.989  0.503  0.753  1.0
  F  F8  1  0.489  0.003  0.747  1.0
  F  F9  1  0.997  0.511  0.253  1.0
  F  F10  1  0.081  0.243  0.341  1.0
  F  F11  1  0.757  0.919  0.659  1.0
  F  F12  1  0.257  0.419  0.841  1.0
  F  F13  1  0.581  0.743  0.159  1.0
  F  F14  1  0.920  0.745  0.661  1.0
  F  F15  1  0.255  0.080  0.339  1.0
  F  F16  1  0.755  0.580  0.161  1.0
  F  F17  1  0.420  0.245  0.839  1.0
[/CIF]
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