The compound described by Na3CrF6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to twelve equivalent F(1) atoms to form NaF12 cuboctahedra that share corners with twelve equivalent Na(1)F12 cuboctahedra, faces with six equivalent Na(1)F12 cuboctahedra, faces with four equivalent Na(2)F6 octahedra, and faces with four equivalent Cr(1)F6 octahedra. In the second Na site, Na(2) is bonded to six equivalent F(1) atoms to form NaF6 octahedra that share corners with six equivalent Cr(1)F6 octahedra and faces with eight equivalent Na(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Cr(1) is bonded to six equivalent F(1) atoms to form CrF6 octahedra that share corners with six equivalent Na(2)F6 octahedra and faces with eight equivalent Na(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a linear geometry to one Na(2), four equivalent Na(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3CrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.800
_cell_length_b   5.800
_cell_length_c   5.800
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   137.945
_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  0.250  0.250  0.250  1.0
  Na  Na1  1  0.750  0.750  0.750  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.234  0.766  0.234  1.0
  F  F5  1  0.766  0.766  0.234  1.0
  F  F6  1  0.766  0.234  0.766  1.0
  F  F7  1  0.766  0.234  0.234  1.0
  F  F8  1  0.234  0.766  0.766  1.0
  F  F9  1  0.234  0.234  0.766  1.0
[/CIF]
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The compound described by Na3CrF6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to twelve equivalent F(1) atoms to form NaF12 cuboctahedra that share corners with twelve equivalent Na(1)F12 cuboctahedra, faces with six equivalent Na(1)F12 cuboctahedra, faces with four equivalent Na(2)F6 octahedra, and faces with four equivalent Cr(1)F6 octahedra. In the second Na site, Na(2) is bonded to six equivalent F(1) atoms to form NaF6 octahedra that share corners with six equivalent Cr(1)F6 octahedra and faces with eight equivalent Na(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Cr(1) is bonded to six equivalent F(1) atoms to form CrF6 octahedra that share corners with six equivalent Na(2)F6 octahedra and faces with eight equivalent Na(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a linear geometry to one Na(2), four equivalent Na(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3CrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.800
_cell_length_b   5.800
_cell_length_c   5.800
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   137.945
_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  0.250  0.250  0.250  1.0
  Na  Na1  1  0.750  0.750  0.750  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.234  0.766  0.234  1.0
  F  F5  1  0.766  0.766  0.234  1.0
  F  F6  1  0.766  0.234  0.766  1.0
  F  F7  1  0.766  0.234  0.234  1.0
  F  F8  1  0.234  0.766  0.766  1.0
  F  F9  1  0.234  0.234  0.766  1.0
[/CIF]
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