The material structure described by NaTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Na(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ta(2) and eight equivalent Ta(1) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to four equivalent Na(1) and four equivalent Ta(2) atoms to form a mixture of distorted edge, face, and corner-sharing TaNa4Ta4 tetrahedra. In the second Ta site, Ta(2) is bonded in a 14-coordinate geometry to six equivalent Na(1) and eight equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaTa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.729
_cell_length_b   4.729
_cell_length_c   4.729
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   74.779
_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  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.750  0.750  0.750  1.0
  Ta  Ta2  1  0.250  0.250  0.250  1.0
  Ta  Ta3  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by NaTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Na(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ta(2) and eight equivalent Ta(1) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to four equivalent Na(1) and four equivalent Ta(2) atoms to form a mixture of distorted edge, face, and corner-sharing TaNa4Ta4 tetrahedra. In the second Ta site, Ta(2) is bonded in a 14-coordinate geometry to six equivalent Na(1) and eight equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaTa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.729
_cell_length_b   4.729
_cell_length_c   4.729
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   74.779
_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  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.750  0.750  0.750  1.0
  Ta  Ta2  1  0.250  0.250  0.250  1.0
  Ta  Ta3  1  0.500  0.500  0.500  1.0
[/CIF]
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