The compound described by ScTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form a mixture of edge, face, and corner-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to six equivalent Sc(1) atoms to form a mixture of distorted edge and corner-sharing TeSc6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 3°. In the second Te site, Te(2) is bonded to six equivalent Sc(1) atoms to form a mixture of edge and corner-sharing TeSc6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.142
_cell_length_b   4.142
_cell_length_c   13.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   204.166
_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
  Sc  Sc0  1  0.667  0.333  0.119  1.0
  Sc  Sc1  1  0.333  0.667  0.881  1.0
  Sc  Sc2  1  0.333  0.667  0.619  1.0
  Sc  Sc3  1  0.667  0.333  0.381  1.0
  Te  Te4  1  0.667  0.333  0.750  1.0
  Te  Te5  1  0.333  0.667  0.250  1.0
  Te  Te6  1  0.000  0.000  0.500  1.0
  Te  Te7  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by ScTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form a mixture of edge, face, and corner-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to six equivalent Sc(1) atoms to form a mixture of distorted edge and corner-sharing TeSc6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 3°. In the second Te site, Te(2) is bonded to six equivalent Sc(1) atoms to form a mixture of edge and corner-sharing TeSc6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.142
_cell_length_b   4.142
_cell_length_c   13.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   204.166
_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
  Sc  Sc0  1  0.667  0.333  0.119  1.0
  Sc  Sc1  1  0.333  0.667  0.881  1.0
  Sc  Sc2  1  0.333  0.667  0.619  1.0
  Sc  Sc3  1  0.667  0.333  0.381  1.0
  Te  Te4  1  0.667  0.333  0.750  1.0
  Te  Te5  1  0.333  0.667  0.250  1.0
  Te  Te6  1  0.000  0.000  0.500  1.0
  Te  Te7  1  0.000  0.000  0.000  1.0
[/CIF]
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