The material structure described by NaMoF6 is alpha Rhenium trioxide-derived structured and crystallizes in the tetragonal I4/mmm space group. Na(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form NaF6 octahedra that share corners with six equivalent Mo(1)F6 octahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form MoF6 octahedra that share corners with six equivalent Na(1)F6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Na(1) and one Mo(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Na(1) and one Mo(1) atom. In the third F site, F(1) is bonded in a linear geometry to one Na(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_NaMoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.848
_cell_length_b   5.848
_cell_length_c   5.845
_cell_angle_alpha   60.013
_cell_angle_beta   60.014
_cell_angle_gamma   59.973
_symmetry_Int_Tables_number   1
_cell_volume   141.336
_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  0.500  1.0
  Mo  Mo1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.769  0.231  0.231  1.0
  F  F3  1  0.776  0.776  0.224  1.0
  F  F4  1  0.224  0.224  0.776  1.0
  F  F5  1  0.769  0.231  0.769  1.0
  F  F6  1  0.231  0.769  0.231  1.0
  F  F7  1  0.231  0.769  0.769  1.0
[/CIF]
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The material structure described by NaMoF6 is alpha Rhenium trioxide-derived structured and crystallizes in the tetragonal I4/mmm space group. Na(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form NaF6 octahedra that share corners with six equivalent Mo(1)F6 octahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form MoF6 octahedra that share corners with six equivalent Na(1)F6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Na(1) and one Mo(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Na(1) and one Mo(1) atom. In the third F site, F(1) is bonded in a linear geometry to one Na(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_NaMoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.848
_cell_length_b   5.848
_cell_length_c   5.845
_cell_angle_alpha   60.013
_cell_angle_beta   60.014
_cell_angle_gamma   59.973
_symmetry_Int_Tables_number   1
_cell_volume   141.336
_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  0.500  1.0
  Mo  Mo1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.769  0.231  0.231  1.0
  F  F3  1  0.776  0.776  0.224  1.0
  F  F4  1  0.224  0.224  0.776  1.0
  F  F5  1  0.769  0.231  0.769  1.0
  F  F6  1  0.231  0.769  0.231  1.0
  F  F7  1  0.231  0.769  0.769  1.0
[/CIF]
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