The compound described by Na3Pd5F12 crystallizes in the monoclinic C2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to two equivalent F(2), two equivalent F(3), and four equivalent F(4) atoms. In the second Na site, Na(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form NaF6 octahedra that share corners with two equivalent Pd(3)F6 octahedra and edges with two equivalent Na(2)F6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(5) atom. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to four equivalent F(4) atoms. In the third Pd site, Pd(3) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(5) atoms to form PdF6 octahedra that share corners with two equivalent Na(2)F6 octahedra and edges with two equivalent Pd(3)F6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(2) and one Pd(1) atom. In the second F site, F(2) is bonded to one Na(1), one Pd(1), and two equivalent Pd(3) atoms to form distorted FNaPd3 trigonal pyramids that share  a cornercorner with one F(3)Na3Pd tetrahedra, corners with four equivalent F(4)Na2Pd2 tetrahedra, corners with three equivalent F(2)NaPd3 trigonal pyramids,  an edgeedge with one F(3)Na3Pd tetrahedra, and edges with two equivalent F(4)Na2Pd2 tetrahedra. In the third F site, F(3) is bonded to one Na(1), two equivalent Na(2), and one Pd(1) atom to form FNa3Pd tetrahedra that share  a cornercorner with one F(3)Na3Pd tetrahedra, corners with four equivalent F(4)Na2Pd2 tetrahedra,  a cornercorner with one F(2)NaPd3 trigonal pyramid,  an edgeedge with one F(3)Na3Pd tetrahedra, edges with two equivalent F(4)Na2Pd2 tetrahedra, and  an edgeedge with one F(2)NaPd3 trigonal pyramid. In the fourth F site, F(4) is bonded to one Na(1), one Na(2), one Pd(2), and one Pd(3) atom to form FNa2Pd2 tetrahedra that share corners with two equivalent F(3)Na3Pd tetrahedra, corners with six equivalent F(4)Na2Pd2 tetrahedra, corners with two equivalent F(2)NaPd3 trigonal pyramids,  an edgeedge with one F(4)Na2Pd2 tetrahedra,  an edgeedge with one F(3)Na3Pd tetrahedra, and  an edgeedge with one F(2)NaPd3 trigonal pyramid. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Pd(1) and two equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_Na3Pd5F12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.495
_cell_length_b   7.495
_cell_length_c   6.890
_cell_angle_alpha   73.776
_cell_angle_beta   73.776
_cell_angle_gamma   55.221
_symmetry_Int_Tables_number   1
_cell_volume   301.701
_cell_formula_units_Z   1
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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Na  Na1  1  0.740  0.260  0.500  1.0
  Na  Na2  1  0.260  0.740  0.500  1.0
  Pd  Pd3  1  0.766  0.766  0.476  1.0
  Pd  Pd4  1  0.234  0.234  0.524  1.0
  Pd  Pd5  1  0.500  0.500  0.000  1.0
  Pd  Pd6  1  0.500  0.000  0.000  1.0
  Pd  Pd7  1  0.000  0.500  0.000  1.0
  F  F8  1  0.608  0.608  0.540  1.0
  F  F9  1  0.392  0.392  0.460  1.0
  F  F10  1  0.786  0.786  0.170  1.0
  F  F11  1  0.214  0.214  0.830  1.0
  F  F12  1  0.924  0.924  0.397  1.0
  F  F13  1  0.076  0.076  0.603  1.0
  F  F14  1  0.363  0.785  0.111  1.0
  F  F15  1  0.637  0.215  0.889  1.0
  F  F16  1  0.215  0.637  0.889  1.0
  F  F17  1  0.785  0.363  0.111  1.0
  F  F18  1  0.245  0.245  0.224  1.0
  F  F19  1  0.755  0.755  0.776  1.0
[/CIF]
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The compound described by Na3Pd5F12 crystallizes in the monoclinic C2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to two equivalent F(2), two equivalent F(3), and four equivalent F(4) atoms. In the second Na site, Na(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form NaF6 octahedra that share corners with two equivalent Pd(3)F6 octahedra and edges with two equivalent Na(2)F6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(5) atom. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to four equivalent F(4) atoms. In the third Pd site, Pd(3) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(5) atoms to form PdF6 octahedra that share corners with two equivalent Na(2)F6 octahedra and edges with two equivalent Pd(3)F6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(2) and one Pd(1) atom. In the second F site, F(2) is bonded to one Na(1), one Pd(1), and two equivalent Pd(3) atoms to form distorted FNaPd3 trigonal pyramids that share  a cornercorner with one F(3)Na3Pd tetrahedra, corners with four equivalent F(4)Na2Pd2 tetrahedra, corners with three equivalent F(2)NaPd3 trigonal pyramids,  an edgeedge with one F(3)Na3Pd tetrahedra, and edges with two equivalent F(4)Na2Pd2 tetrahedra. In the third F site, F(3) is bonded to one Na(1), two equivalent Na(2), and one Pd(1) atom to form FNa3Pd tetrahedra that share  a cornercorner with one F(3)Na3Pd tetrahedra, corners with four equivalent F(4)Na2Pd2 tetrahedra,  a cornercorner with one F(2)NaPd3 trigonal pyramid,  an edgeedge with one F(3)Na3Pd tetrahedra, edges with two equivalent F(4)Na2Pd2 tetrahedra, and  an edgeedge with one F(2)NaPd3 trigonal pyramid. In the fourth F site, F(4) is bonded to one Na(1), one Na(2), one Pd(2), and one Pd(3) atom to form FNa2Pd2 tetrahedra that share corners with two equivalent F(3)Na3Pd tetrahedra, corners with six equivalent F(4)Na2Pd2 tetrahedra, corners with two equivalent F(2)NaPd3 trigonal pyramids,  an edgeedge with one F(4)Na2Pd2 tetrahedra,  an edgeedge with one F(3)Na3Pd tetrahedra, and  an edgeedge with one F(2)NaPd3 trigonal pyramid. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Pd(1) and two equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_Na3Pd5F12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.495
_cell_length_b   7.495
_cell_length_c   6.890
_cell_angle_alpha   73.776
_cell_angle_beta   73.776
_cell_angle_gamma   55.221
_symmetry_Int_Tables_number   1
_cell_volume   301.701
_cell_formula_units_Z   1
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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Na  Na1  1  0.740  0.260  0.500  1.0
  Na  Na2  1  0.260  0.740  0.500  1.0
  Pd  Pd3  1  0.766  0.766  0.476  1.0
  Pd  Pd4  1  0.234  0.234  0.524  1.0
  Pd  Pd5  1  0.500  0.500  0.000  1.0
  Pd  Pd6  1  0.500  0.000  0.000  1.0
  Pd  Pd7  1  0.000  0.500  0.000  1.0
  F  F8  1  0.608  0.608  0.540  1.0
  F  F9  1  0.392  0.392  0.460  1.0
  F  F10  1  0.786  0.786  0.170  1.0
  F  F11  1  0.214  0.214  0.830  1.0
  F  F12  1  0.924  0.924  0.397  1.0
  F  F13  1  0.076  0.076  0.603  1.0
  F  F14  1  0.363  0.785  0.111  1.0
  F  F15  1  0.637  0.215  0.889  1.0
  F  F16  1  0.215  0.637  0.889  1.0
  F  F17  1  0.785  0.363  0.111  1.0
  F  F18  1  0.245  0.245  0.224  1.0
  F  F19  1  0.755  0.755  0.776  1.0
[/CIF]
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