The material structure described by PbSnSeTe is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. Pb(1) is bonded to four equivalent Te(1) and two equivalent Se(1) atoms to form PbTe4Se2 octahedra that share corners with six equivalent Pb(1)Te4Se2 octahedra, edges with four equivalent Pb(1)Te4Se2 octahedra, and edges with eight equivalent Sn(1)Te2Se4 octahedra. The corner-sharing octahedra are not tilted. Sn(1) is bonded to two equivalent Te(1) and four equivalent Se(1) atoms to form SnTe2Se4 octahedra that share corners with six equivalent Sn(1)Te2Se4 octahedra, edges with four equivalent Sn(1)Te2Se4 octahedra, and edges with eight equivalent Pb(1)Te4Se2 octahedra. The corner-sharing octahedra are not tilted. Te(1) is bonded to four equivalent Pb(1) and two equivalent Sn(1) atoms to form TeSn2Pb4 octahedra that share corners with six equivalent Te(1)Sn2Pb4 octahedra, edges with four equivalent Te(1)Sn2Pb4 octahedra, and edges with eight equivalent Se(1)Sn4Pb2 octahedra. The corner-sharing octahedra are not tilted. Se(1) is bonded to two equivalent Pb(1) and four equivalent Sn(1) atoms to form SeSn4Pb2 octahedra that share corners with six equivalent Se(1)Sn4Pb2 octahedra, edges with four equivalent Se(1)Sn4Pb2 octahedra, and edges with eight equivalent Te(1)Sn2Pb4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnTePbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.490
_cell_length_b   4.490
_cell_length_c   6.335
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   127.688
_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
  Sn  Sn0  1  0.500  0.500  0.500  1.0
  Te  Te1  1  0.500  0.500  0.000  1.0
  Pb  Pb2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by PbSnSeTe is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. Pb(1) is bonded to four equivalent Te(1) and two equivalent Se(1) atoms to form PbTe4Se2 octahedra that share corners with six equivalent Pb(1)Te4Se2 octahedra, edges with four equivalent Pb(1)Te4Se2 octahedra, and edges with eight equivalent Sn(1)Te2Se4 octahedra. The corner-sharing octahedra are not tilted. Sn(1) is bonded to two equivalent Te(1) and four equivalent Se(1) atoms to form SnTe2Se4 octahedra that share corners with six equivalent Sn(1)Te2Se4 octahedra, edges with four equivalent Sn(1)Te2Se4 octahedra, and edges with eight equivalent Pb(1)Te4Se2 octahedra. The corner-sharing octahedra are not tilted. Te(1) is bonded to four equivalent Pb(1) and two equivalent Sn(1) atoms to form TeSn2Pb4 octahedra that share corners with six equivalent Te(1)Sn2Pb4 octahedra, edges with four equivalent Te(1)Sn2Pb4 octahedra, and edges with eight equivalent Se(1)Sn4Pb2 octahedra. The corner-sharing octahedra are not tilted. Se(1) is bonded to two equivalent Pb(1) and four equivalent Sn(1) atoms to form SeSn4Pb2 octahedra that share corners with six equivalent Se(1)Sn4Pb2 octahedra, edges with four equivalent Se(1)Sn4Pb2 octahedra, and edges with eight equivalent Te(1)Sn2Pb4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnTePbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.490
_cell_length_b   4.490
_cell_length_c   6.335
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   127.688
_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
  Sn  Sn0  1  0.500  0.500  0.500  1.0
  Te  Te1  1  0.500  0.500  0.000  1.0
  Pb  Pb2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.000  0.000  0.500  1.0
[/CIF]
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