The material described by Cr5Te8 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form a mixture of corner and edge-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Cr site, Cr(2) is bonded to six equivalent Te(2) atoms to form a mixture of face and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the third Cr site, Cr(3) is bonded to six equivalent Te(2) atoms to form a mixture of face and edge-sharing CrTe6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to three equivalent Cr(1) atoms. In the second Te site, Te(2) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(3), and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Cr5Te8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.876
_cell_length_b   7.876
_cell_length_c   6.271
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   336.902
_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
  Cr  Cr0  1  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.500  0.000  0.000  1.0
  Cr  Cr2  1  0.000  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Te  Te5  1  0.667  0.333  0.238  1.0
  Te  Te6  1  0.333  0.667  0.762  1.0
  Te  Te7  1  0.167  0.334  0.246  1.0
  Te  Te8  1  0.833  0.666  0.754  1.0
  Te  Te9  1  0.666  0.833  0.246  1.0
  Te  Te10  1  0.833  0.167  0.754  1.0
  Te  Te11  1  0.334  0.167  0.754  1.0
  Te  Te12  1  0.167  0.833  0.246  1.0
[/CIF]
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The material described by Cr5Te8 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form a mixture of corner and edge-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Cr site, Cr(2) is bonded to six equivalent Te(2) atoms to form a mixture of face and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the third Cr site, Cr(3) is bonded to six equivalent Te(2) atoms to form a mixture of face and edge-sharing CrTe6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to three equivalent Cr(1) atoms. In the second Te site, Te(2) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(3), and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Cr5Te8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.876
_cell_length_b   7.876
_cell_length_c   6.271
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   336.902
_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
  Cr  Cr0  1  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.500  0.000  0.000  1.0
  Cr  Cr2  1  0.000  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Te  Te5  1  0.667  0.333  0.238  1.0
  Te  Te6  1  0.333  0.667  0.762  1.0
  Te  Te7  1  0.167  0.334  0.246  1.0
  Te  Te8  1  0.833  0.666  0.754  1.0
  Te  Te9  1  0.666  0.833  0.246  1.0
  Te  Te10  1  0.833  0.167  0.754  1.0
  Te  Te11  1  0.334  0.167  0.754  1.0
  Te  Te12  1  0.167  0.833  0.246  1.0
[/CIF]
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