The material described by Na3HfF8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the second Na site, Na(2) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. Hf(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. F(1) is bonded to one Na(1), two equivalent Na(2), and one Hf(1) atom to form a mixture of edge and corner-sharing FNa3Hf tetrahedra. is represented by the CIF file [CIF]
data_Na3HfF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.599
_cell_length_b   6.599
_cell_length_c   6.599
_cell_angle_alpha   131.893
_cell_angle_beta   131.893
_cell_angle_gamma   70.398
_symmetry_Int_Tables_number   1
_cell_volume   156.055
_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  0.500  0.500  0.000  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Na  Na2  1  0.750  0.250  0.500  1.0
  Hf  Hf3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.887  0.887  0.546  1.0
  F  F5  1  0.887  0.341  0.000  1.0
  F  F6  1  0.341  0.887  0.000  1.0
  F  F7  1  0.341  0.341  0.454  1.0
  F  F8  1  0.659  0.659  0.546  1.0
  F  F9  1  0.659  0.113  0.000  1.0
  F  F10  1  0.113  0.659  0.000  1.0
  F  F11  1  0.113  0.113  0.454  1.0
[/CIF]
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The material described by Na3HfF8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the second Na site, Na(2) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. Hf(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. F(1) is bonded to one Na(1), two equivalent Na(2), and one Hf(1) atom to form a mixture of edge and corner-sharing FNa3Hf tetrahedra. is represented by the CIF file [CIF]
data_Na3HfF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.599
_cell_length_b   6.599
_cell_length_c   6.599
_cell_angle_alpha   131.893
_cell_angle_beta   131.893
_cell_angle_gamma   70.398
_symmetry_Int_Tables_number   1
_cell_volume   156.055
_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  0.500  0.500  0.000  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Na  Na2  1  0.750  0.250  0.500  1.0
  Hf  Hf3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.887  0.887  0.546  1.0
  F  F5  1  0.887  0.341  0.000  1.0
  F  F6  1  0.341  0.887  0.000  1.0
  F  F7  1  0.341  0.341  0.454  1.0
  F  F8  1  0.659  0.659  0.546  1.0
  F  F9  1  0.659  0.113  0.000  1.0
  F  F10  1  0.113  0.659  0.000  1.0
  F  F11  1  0.113  0.113  0.454  1.0
[/CIF]
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