The material described by TlSbSe2 crystallizes in the monoclinic Pm space group. Tl(1) is bonded to two equivalent Sb(1) and four equivalent Se(1) atoms to form a mixture of corner and edge-sharing TlSb2Se4 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. Sb(1) is bonded to two equivalent Tl(1) and three equivalent Se(2) atoms to form distorted corner-sharing SbTl2Se3 square pyramids. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to four equivalent Tl(1) and two equivalent Se(2) atoms. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to three equivalent Sb(1) and two equivalent Se(1) atoms. is represented by the CIF card [CIF]
data_TlSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.005
_cell_length_b   4.354
_cell_length_c   4.361
_cell_angle_alpha   88.058
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   113.933
_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
  Tl  Tl0  1  0.000  0.010  0.023  1.0
  Sb  Sb1  1  0.500  0.980  0.951  1.0
  Se  Se2  1  0.000  0.489  0.486  1.0
  Se  Se3  1  0.500  0.521  0.541  1.0
[/CIF]
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The material described by TlSbSe2 crystallizes in the monoclinic Pm space group. Tl(1) is bonded to two equivalent Sb(1) and four equivalent Se(1) atoms to form a mixture of corner and edge-sharing TlSb2Se4 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. Sb(1) is bonded to two equivalent Tl(1) and three equivalent Se(2) atoms to form distorted corner-sharing SbTl2Se3 square pyramids. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to four equivalent Tl(1) and two equivalent Se(2) atoms. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to three equivalent Sb(1) and two equivalent Se(1) atoms. is represented by the CIF card [CIF]
data_TlSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.005
_cell_length_b   4.354
_cell_length_c   4.361
_cell_angle_alpha   88.058
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   113.933
_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
  Tl  Tl0  1  0.000  0.010  0.023  1.0
  Sb  Sb1  1  0.500  0.980  0.951  1.0
  Se  Se2  1  0.000  0.489  0.486  1.0
  Se  Se3  1  0.500  0.521  0.541  1.0
[/CIF]
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