The compound described by Bi4N2Te3 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted L-shaped geometry to two equivalent N(1), two equivalent Te(1), and two equivalent Te(2) atoms. In the second Bi site, Bi(2) is bonded in a distorted bent 120 degrees geometry to two equivalent N(1), one Te(1), and three equivalent Te(2) atoms. N(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form NBi4 tetrahedra that share corners with two equivalent Te(1)Bi6 octahedra, corners with two equivalent N(1)Bi4 tetrahedra, edges with two equivalent Te(1)Bi6 octahedra, and  an edgeedge with one N(1)Bi4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Bi(2) and four equivalent Bi(1) atoms to form distorted TeBi6 octahedra that share corners with four equivalent N(1)Bi4 tetrahedra, edges with two equivalent Te(1)Bi6 octahedra, and edges with four equivalent N(1)Bi4 tetrahedra. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Bi(1) and three equivalent Bi(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi4Te3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.659
_cell_length_b   16.434
_cell_length_c   4.151
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   522.404
_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
  Bi  Bi0  1  0.693  0.939  0.500  1.0
  Bi  Bi1  1  0.307  0.061  0.500  1.0
  Bi  Bi2  1  0.193  0.561  0.000  1.0
  Bi  Bi3  1  0.807  0.439  0.000  1.0
  Bi  Bi4  1  0.796  0.643  0.500  1.0
  Bi  Bi5  1  0.204  0.357  0.500  1.0
  Bi  Bi6  1  0.296  0.857  0.000  1.0
  Bi  Bi7  1  0.704  0.143  0.000  1.0
  Te  Te8  1  0.500  0.500  0.500  1.0
  Te  Te9  1  0.000  0.000  0.000  1.0
  Te  Te10  1  0.839  0.283  0.500  1.0
  Te  Te11  1  0.161  0.717  0.500  1.0
  Te  Te12  1  0.339  0.217  0.000  1.0
  Te  Te13  1  0.661  0.783  0.000  1.0
  N  N14  1  0.608  0.075  0.500  1.0
  N  N15  1  0.392  0.925  0.500  1.0
  N  N16  1  0.108  0.425  0.000  1.0
  N  N17  1  0.892  0.575  0.000  1.0
[/CIF]
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The compound described by Bi4N2Te3 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted L-shaped geometry to two equivalent N(1), two equivalent Te(1), and two equivalent Te(2) atoms. In the second Bi site, Bi(2) is bonded in a distorted bent 120 degrees geometry to two equivalent N(1), one Te(1), and three equivalent Te(2) atoms. N(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form NBi4 tetrahedra that share corners with two equivalent Te(1)Bi6 octahedra, corners with two equivalent N(1)Bi4 tetrahedra, edges with two equivalent Te(1)Bi6 octahedra, and  an edgeedge with one N(1)Bi4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Bi(2) and four equivalent Bi(1) atoms to form distorted TeBi6 octahedra that share corners with four equivalent N(1)Bi4 tetrahedra, edges with two equivalent Te(1)Bi6 octahedra, and edges with four equivalent N(1)Bi4 tetrahedra. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Bi(1) and three equivalent Bi(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi4Te3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.659
_cell_length_b   16.434
_cell_length_c   4.151
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   522.404
_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
  Bi  Bi0  1  0.693  0.939  0.500  1.0
  Bi  Bi1  1  0.307  0.061  0.500  1.0
  Bi  Bi2  1  0.193  0.561  0.000  1.0
  Bi  Bi3  1  0.807  0.439  0.000  1.0
  Bi  Bi4  1  0.796  0.643  0.500  1.0
  Bi  Bi5  1  0.204  0.357  0.500  1.0
  Bi  Bi6  1  0.296  0.857  0.000  1.0
  Bi  Bi7  1  0.704  0.143  0.000  1.0
  Te  Te8  1  0.500  0.500  0.500  1.0
  Te  Te9  1  0.000  0.000  0.000  1.0
  Te  Te10  1  0.839  0.283  0.500  1.0
  Te  Te11  1  0.161  0.717  0.500  1.0
  Te  Te12  1  0.339  0.217  0.000  1.0
  Te  Te13  1  0.661  0.783  0.000  1.0
  N  N14  1  0.608  0.075  0.500  1.0
  N  N15  1  0.392  0.925  0.500  1.0
  N  N16  1  0.108  0.425  0.000  1.0
  N  N17  1  0.892  0.575  0.000  1.0
[/CIF]
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