The crystal structure described by NaBiTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent Te(1) atoms to form NaTe6 octahedra that share corners with six equivalent Bi(1)Te6 octahedra, edges with six equivalent Na(1)Te6 octahedra, and edges with six equivalent Bi(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 3°. Bi(1) is bonded to six equivalent Te(1) atoms to form BiTe6 octahedra that share corners with six equivalent Na(1)Te6 octahedra, edges with six equivalent Na(1)Te6 octahedra, and edges with six equivalent Bi(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 3°. Te(1) is bonded to three equivalent Na(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing TeNa3Bi3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_NaBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.014
_cell_length_b   8.014
_cell_length_c   8.014
_cell_angle_alpha   32.473
_cell_angle_beta   32.473
_cell_angle_gamma   32.473
_symmetry_Int_Tables_number   1
_cell_volume   131.932
_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  0.500  0.500  0.500  1.0
  Bi  Bi1  1  0.000  0.000  0.000  1.0
  Te  Te2  1  0.254  0.254  0.254  1.0
  Te  Te3  1  0.746  0.746  0.746  1.0
[/CIF]
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The crystal structure described by NaBiTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent Te(1) atoms to form NaTe6 octahedra that share corners with six equivalent Bi(1)Te6 octahedra, edges with six equivalent Na(1)Te6 octahedra, and edges with six equivalent Bi(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 3°. Bi(1) is bonded to six equivalent Te(1) atoms to form BiTe6 octahedra that share corners with six equivalent Na(1)Te6 octahedra, edges with six equivalent Na(1)Te6 octahedra, and edges with six equivalent Bi(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 3°. Te(1) is bonded to three equivalent Na(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing TeNa3Bi3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_NaBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.014
_cell_length_b   8.014
_cell_length_c   8.014
_cell_angle_alpha   32.473
_cell_angle_beta   32.473
_cell_angle_gamma   32.473
_symmetry_Int_Tables_number   1
_cell_volume   131.932
_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  0.500  0.500  0.500  1.0
  Bi  Bi1  1  0.000  0.000  0.000  1.0
  Te  Te2  1  0.254  0.254  0.254  1.0
  Te  Te3  1  0.746  0.746  0.746  1.0
[/CIF]
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