The structure described by Na3CoF6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent F(2), three equivalent F(1), and three equivalent F(3) atoms. In the second Na site, Na(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form NaF6 octahedra that share corners with six equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. Co(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CoF6 octahedra that share corners with six equivalent Na(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Na(2), three equivalent Na(1), and one Co(1) atom. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to one Na(2), two equivalent Na(1), and one Co(1) atom. In the third F site, F(3) is bonded in a 5-coordinate geometry to one Na(2), three equivalent Na(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_Na3CoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.369
_cell_length_b   5.608
_cell_length_c   7.698
_cell_angle_alpha   90.000
_cell_angle_beta   89.601
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.778
_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
  Na  Na0  1  0.019  0.439  0.254  1.0
  Na  Na1  1  0.981  0.561  0.746  1.0
  Na  Na2  1  0.481  0.939  0.246  1.0
  Na  Na3  1  0.519  0.061  0.754  1.0
  Na  Na4  1  0.000  0.000  0.500  1.0
  Na  Na5  1  0.500  0.500  0.000  1.0
  Co  Co6  1  0.000  0.000  0.000  1.0
  Co  Co7  1  0.500  0.500  0.500  1.0
  F  F8  1  0.167  0.725  0.070  1.0
  F  F9  1  0.833  0.275  0.930  1.0
  F  F10  1  0.333  0.225  0.430  1.0
  F  F11  1  0.667  0.775  0.570  1.0
  F  F12  1  0.883  0.052  0.224  1.0
  F  F13  1  0.117  0.948  0.776  1.0
  F  F14  1  0.617  0.552  0.276  1.0
  F  F15  1  0.383  0.448  0.724  1.0
  F  F16  1  0.281  0.178  0.052  1.0
  F  F17  1  0.719  0.822  0.948  1.0
  F  F18  1  0.219  0.678  0.448  1.0
  F  F19  1  0.781  0.322  0.552  1.0
[/CIF]
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The structure described by Na3CoF6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent F(2), three equivalent F(1), and three equivalent F(3) atoms. In the second Na site, Na(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form NaF6 octahedra that share corners with six equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. Co(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CoF6 octahedra that share corners with six equivalent Na(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Na(2), three equivalent Na(1), and one Co(1) atom. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to one Na(2), two equivalent Na(1), and one Co(1) atom. In the third F site, F(3) is bonded in a 5-coordinate geometry to one Na(2), three equivalent Na(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_Na3CoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.369
_cell_length_b   5.608
_cell_length_c   7.698
_cell_angle_alpha   90.000
_cell_angle_beta   89.601
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.778
_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
  Na  Na0  1  0.019  0.439  0.254  1.0
  Na  Na1  1  0.981  0.561  0.746  1.0
  Na  Na2  1  0.481  0.939  0.246  1.0
  Na  Na3  1  0.519  0.061  0.754  1.0
  Na  Na4  1  0.000  0.000  0.500  1.0
  Na  Na5  1  0.500  0.500  0.000  1.0
  Co  Co6  1  0.000  0.000  0.000  1.0
  Co  Co7  1  0.500  0.500  0.500  1.0
  F  F8  1  0.167  0.725  0.070  1.0
  F  F9  1  0.833  0.275  0.930  1.0
  F  F10  1  0.333  0.225  0.430  1.0
  F  F11  1  0.667  0.775  0.570  1.0
  F  F12  1  0.883  0.052  0.224  1.0
  F  F13  1  0.117  0.948  0.776  1.0
  F  F14  1  0.617  0.552  0.276  1.0
  F  F15  1  0.383  0.448  0.724  1.0
  F  F16  1  0.281  0.178  0.052  1.0
  F  F17  1  0.719  0.822  0.948  1.0
  F  F18  1  0.219  0.678  0.448  1.0
  F  F19  1  0.781  0.322  0.552  1.0
[/CIF]
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