The compound described by Na3Cd is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to four equivalent Na(2) and four equivalent Cd(1) atoms. In the second Na site, Na(2) is bonded to eight equivalent Na(1) and four equivalent Cd(1) atoms to form NaNa8Cd4 cuboctahedra that share corners with four equivalent Na(2)Na8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Na12 cuboctahedra, edges with eight equivalent Na(2)Na8Cd4 cuboctahedra, faces with four equivalent Na(2)Na8Cd4 cuboctahedra, and faces with six equivalent Cd(1)Na12 cuboctahedra. Cd(1) is bonded to four equivalent Na(2) and eight equivalent Na(1) atoms to form CdNa12 cuboctahedra that share corners with four equivalent Cd(1)Na12 cuboctahedra, corners with eight equivalent Na(2)Na8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Na12 cuboctahedra, faces with four equivalent Cd(1)Na12 cuboctahedra, and faces with six equivalent Na(2)Na8Cd4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.698
_cell_length_b   5.698
_cell_length_c   5.698
_cell_angle_alpha   126.056
_cell_angle_beta   126.056
_cell_angle_gamma   79.795
_symmetry_Int_Tables_number   1
_cell_volume   116.806
_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  0.750  0.250  0.500  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Na3Cd is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to four equivalent Na(2) and four equivalent Cd(1) atoms. In the second Na site, Na(2) is bonded to eight equivalent Na(1) and four equivalent Cd(1) atoms to form NaNa8Cd4 cuboctahedra that share corners with four equivalent Na(2)Na8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Na12 cuboctahedra, edges with eight equivalent Na(2)Na8Cd4 cuboctahedra, faces with four equivalent Na(2)Na8Cd4 cuboctahedra, and faces with six equivalent Cd(1)Na12 cuboctahedra. Cd(1) is bonded to four equivalent Na(2) and eight equivalent Na(1) atoms to form CdNa12 cuboctahedra that share corners with four equivalent Cd(1)Na12 cuboctahedra, corners with eight equivalent Na(2)Na8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Na12 cuboctahedra, faces with four equivalent Cd(1)Na12 cuboctahedra, and faces with six equivalent Na(2)Na8Cd4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.698
_cell_length_b   5.698
_cell_length_c   5.698
_cell_angle_alpha   126.056
_cell_angle_beta   126.056
_cell_angle_gamma   79.795
_symmetry_Int_Tables_number   1
_cell_volume   116.806
_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  0.750  0.250  0.500  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
[/CIF]
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