The crystal structure described by Na3TaF8 is Esseneite-derived structured and crystallizes in the monoclinic C2/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(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second Na site, Na(2) is bonded in a distorted octahedral geometry to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms. Ta(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Na(2), two equivalent Na(1), and one Ta(1) atom to form a mixture of corner and edge-sharing FNa3Ta tetrahedra. In the second F site, F(2) is bonded in a distorted T-shaped geometry to two equivalent Na(1) and one Ta(1) atom. In the third F site, F(3) is bonded in a distorted see-saw-like geometry to one Na(2), two equivalent Na(1), and one Ta(1) atom. In the fourth F site, F(4) is bonded to one Na(2), two equivalent Na(1), and one Ta(1) atom to form a mixture of corner and edge-sharing FNa3Ta tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3TaF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.309
_cell_length_b   6.309
_cell_length_c   11.138
_cell_angle_alpha   61.680
_cell_angle_beta   61.680
_cell_angle_gamma   49.787
_symmetry_Int_Tables_number   1
_cell_volume   288.582
_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  0.293  0.277  0.601  1.0
  Na  Na1  1  0.723  0.707  0.899  1.0
  Na  Na2  1  0.707  0.723  0.399  1.0
  Na  Na3  1  0.277  0.293  0.101  1.0
  Na  Na4  1  0.000  0.000  0.500  1.0
  Na  Na5  1  0.000  0.000  0.000  1.0
  Ta  Ta6  1  0.566  0.434  0.750  1.0
  Ta  Ta7  1  0.434  0.566  0.250  1.0
  F  F8  1  0.631  0.103  0.714  1.0
  F  F9  1  0.897  0.369  0.786  1.0
  F  F10  1  0.369  0.897  0.286  1.0
  F  F11  1  0.103  0.631  0.214  1.0
  F  F12  1  0.202  0.449  0.863  1.0
  F  F13  1  0.551  0.798  0.637  1.0
  F  F14  1  0.798  0.551  0.137  1.0
  F  F15  1  0.449  0.202  0.363  1.0
  F  F16  1  0.657  0.375  0.391  1.0
  F  F17  1  0.625  0.343  0.109  1.0
  F  F18  1  0.343  0.625  0.609  1.0
  F  F19  1  0.375  0.657  0.891  1.0
  F  F20  1  0.099  0.681  0.418  1.0
  F  F21  1  0.319  0.901  0.082  1.0
  F  F22  1  0.901  0.319  0.582  1.0
  F  F23  1  0.681  0.099  0.918  1.0
[/CIF]
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The crystal structure described by Na3TaF8 is Esseneite-derived structured and crystallizes in the monoclinic C2/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(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second Na site, Na(2) is bonded in a distorted octahedral geometry to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms. Ta(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Na(2), two equivalent Na(1), and one Ta(1) atom to form a mixture of corner and edge-sharing FNa3Ta tetrahedra. In the second F site, F(2) is bonded in a distorted T-shaped geometry to two equivalent Na(1) and one Ta(1) atom. In the third F site, F(3) is bonded in a distorted see-saw-like geometry to one Na(2), two equivalent Na(1), and one Ta(1) atom. In the fourth F site, F(4) is bonded to one Na(2), two equivalent Na(1), and one Ta(1) atom to form a mixture of corner and edge-sharing FNa3Ta tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3TaF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.309
_cell_length_b   6.309
_cell_length_c   11.138
_cell_angle_alpha   61.680
_cell_angle_beta   61.680
_cell_angle_gamma   49.787
_symmetry_Int_Tables_number   1
_cell_volume   288.582
_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  0.293  0.277  0.601  1.0
  Na  Na1  1  0.723  0.707  0.899  1.0
  Na  Na2  1  0.707  0.723  0.399  1.0
  Na  Na3  1  0.277  0.293  0.101  1.0
  Na  Na4  1  0.000  0.000  0.500  1.0
  Na  Na5  1  0.000  0.000  0.000  1.0
  Ta  Ta6  1  0.566  0.434  0.750  1.0
  Ta  Ta7  1  0.434  0.566  0.250  1.0
  F  F8  1  0.631  0.103  0.714  1.0
  F  F9  1  0.897  0.369  0.786  1.0
  F  F10  1  0.369  0.897  0.286  1.0
  F  F11  1  0.103  0.631  0.214  1.0
  F  F12  1  0.202  0.449  0.863  1.0
  F  F13  1  0.551  0.798  0.637  1.0
  F  F14  1  0.798  0.551  0.137  1.0
  F  F15  1  0.449  0.202  0.363  1.0
  F  F16  1  0.657  0.375  0.391  1.0
  F  F17  1  0.625  0.343  0.109  1.0
  F  F18  1  0.343  0.625  0.609  1.0
  F  F19  1  0.375  0.657  0.891  1.0
  F  F20  1  0.099  0.681  0.418  1.0
  F  F21  1  0.319  0.901  0.082  1.0
  F  F22  1  0.901  0.319  0.582  1.0
  F  F23  1  0.681  0.099  0.918  1.0
[/CIF]
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