The compound described by Cr2Te3 crystallizes in the trigonal P-31c space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to six equivalent Te(1) atoms to form a mixture of face and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the second Cr site, Cr(2) is bonded to six equivalent Te(1) atoms to form a mixture of edge and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the third Cr site, Cr(3) is bonded to six equivalent Te(1) atoms to form a mixture of edge, face, and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. Te(1) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), and two equivalent Cr(3) atoms. is represented by the CIF card [CIF]
data_Cr2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.896
_cell_length_b   6.896
_cell_length_c   12.502
_cell_angle_alpha   89.998
_cell_angle_beta   90.001
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   514.870
_cell_formula_units_Z   4
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  0.333  0.667  0.250  1.0
  Cr  Cr1  1  0.667  0.333  0.750  1.0
  Cr  Cr2  1  0.000  1.000  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  Cr  Cr4  1  0.333  0.667  0.991  1.0
  Cr  Cr5  1  0.333  0.667  0.509  1.0
  Cr  Cr6  1  0.667  0.333  0.009  1.0
  Cr  Cr7  1  0.667  0.333  0.491  1.0
  Te  Te8  1  0.329  0.992  0.379  1.0
  Te  Te9  1  0.008  0.337  0.379  1.0
  Te  Te10  1  0.663  0.671  0.379  1.0
  Te  Te11  1  0.008  0.671  0.121  1.0
  Te  Te12  1  0.663  0.992  0.121  1.0
  Te  Te13  1  0.329  0.337  0.121  1.0
  Te  Te14  1  0.671  0.008  0.621  1.0
  Te  Te15  1  0.992  0.663  0.621  1.0
  Te  Te16  1  0.337  0.329  0.621  1.0
  Te  Te17  1  0.992  0.329  0.879  1.0
  Te  Te18  1  0.337  0.008  0.879  1.0
  Te  Te19  1  0.671  0.663  0.879  1.0
[/CIF]
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The compound described by Cr2Te3 crystallizes in the trigonal P-31c space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to six equivalent Te(1) atoms to form a mixture of face and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the second Cr site, Cr(2) is bonded to six equivalent Te(1) atoms to form a mixture of edge and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the third Cr site, Cr(3) is bonded to six equivalent Te(1) atoms to form a mixture of edge, face, and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. Te(1) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), and two equivalent Cr(3) atoms. is represented by the CIF card [CIF]
data_Cr2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.896
_cell_length_b   6.896
_cell_length_c   12.502
_cell_angle_alpha   89.998
_cell_angle_beta   90.001
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   514.870
_cell_formula_units_Z   4
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  0.333  0.667  0.250  1.0
  Cr  Cr1  1  0.667  0.333  0.750  1.0
  Cr  Cr2  1  0.000  1.000  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  Cr  Cr4  1  0.333  0.667  0.991  1.0
  Cr  Cr5  1  0.333  0.667  0.509  1.0
  Cr  Cr6  1  0.667  0.333  0.009  1.0
  Cr  Cr7  1  0.667  0.333  0.491  1.0
  Te  Te8  1  0.329  0.992  0.379  1.0
  Te  Te9  1  0.008  0.337  0.379  1.0
  Te  Te10  1  0.663  0.671  0.379  1.0
  Te  Te11  1  0.008  0.671  0.121  1.0
  Te  Te12  1  0.663  0.992  0.121  1.0
  Te  Te13  1  0.329  0.337  0.121  1.0
  Te  Te14  1  0.671  0.008  0.621  1.0
  Te  Te15  1  0.992  0.663  0.621  1.0
  Te  Te16  1  0.337  0.329  0.621  1.0
  Te  Te17  1  0.992  0.329  0.879  1.0
  Te  Te18  1  0.337  0.008  0.879  1.0
  Te  Te19  1  0.671  0.663  0.879  1.0
[/CIF]
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