The material structure described by Sc6CdTe2 crystallizes in the orthorhombic Pnma space group. There are six inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to two equivalent Te(1) and two equivalent Te(2) atoms. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Cd(1) and one Te(1) atom. In the third Sc site, Sc(3) is bonded in a 5-coordinate geometry to three equivalent Cd(1) and two equivalent Te(1) atoms. In the fourth Sc site, Sc(4) is bonded in a 4-coordinate geometry to one Cd(1), one Te(1), and three equivalent Te(2) atoms. In the fifth Sc site, Sc(5) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one Te(2) atom. In the sixth Sc site, Sc(6) is bonded to two equivalent Cd(1), one Te(1), and two equivalent Te(2) atoms to form distorted edge-sharing ScCd2Te3 square pyramids. Cd(1) is bonded in a 9-coordinate geometry to one Sc(2), one Sc(4), two equivalent Sc(5), two equivalent Sc(6), and three equivalent Sc(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 8-coordinate geometry to one Sc(5), two equivalent Sc(1), two equivalent Sc(6), and three equivalent Sc(4) atoms. In the second Te site, Te(1) is bonded to one Sc(2), one Sc(4), one Sc(6), two equivalent Sc(1), and two equivalent Sc(3) atoms to form distorted edge-sharing TeSc7 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Sc6CdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.932
_cell_length_b   20.492
_cell_length_c   10.894
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   877.690
_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  0.750  0.637  0.941  1.0
  Sc  Sc1  1  0.250  0.363  0.059  1.0
  Sc  Sc2  1  0.250  0.863  0.441  1.0
  Sc  Sc3  1  0.750  0.137  0.559  1.0
  Sc  Sc4  1  0.750  0.994  0.392  1.0
  Sc  Sc5  1  0.250  0.006  0.608  1.0
  Sc  Sc6  1  0.250  0.506  0.892  1.0
  Sc  Sc7  1  0.750  0.494  0.108  1.0
  Sc  Sc8  1  0.750  0.530  0.629  1.0
  Sc  Sc9  1  0.250  0.470  0.371  1.0
  Sc  Sc10  1  0.250  0.970  0.129  1.0
  Sc  Sc11  1  0.750  0.030  0.871  1.0
  Sc  Sc12  1  0.750  0.731  0.260  1.0
  Sc  Sc13  1  0.250  0.269  0.740  1.0
  Sc  Sc14  1  0.250  0.769  0.760  1.0
  Sc  Sc15  1  0.750  0.231  0.240  1.0
  Sc  Sc16  1  0.750  0.891  0.675  1.0
  Sc  Sc17  1  0.250  0.109  0.325  1.0
  Sc  Sc18  1  0.250  0.609  0.175  1.0
  Sc  Sc19  1  0.750  0.391  0.825  1.0
  Sc  Sc20  1  0.750  0.836  0.977  1.0
  Sc  Sc21  1  0.250  0.164  0.023  1.0
  Sc  Sc22  1  0.250  0.664  0.477  1.0
  Sc  Sc23  1  0.750  0.336  0.523  1.0
  Cd  Cd24  1  0.750  0.577  0.366  1.0
  Cd  Cd25  1  0.250  0.423  0.634  1.0
  Cd  Cd26  1  0.250  0.923  0.866  1.0
  Cd  Cd27  1  0.750  0.077  0.134  1.0
  Te  Te28  1  0.750  0.875  0.235  1.0
  Te  Te29  1  0.250  0.125  0.765  1.0
  Te  Te30  1  0.250  0.625  0.735  1.0
  Te  Te31  1  0.750  0.375  0.265  1.0
  Te  Te32  1  0.750  0.765  0.545  1.0
  Te  Te33  1  0.250  0.235  0.455  1.0
  Te  Te34  1  0.250  0.735  0.045  1.0
  Te  Te35  1  0.750  0.265  0.955  1.0
[/CIF]
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The material structure described by Sc6CdTe2 crystallizes in the orthorhombic Pnma space group. There are six inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to two equivalent Te(1) and two equivalent Te(2) atoms. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Cd(1) and one Te(1) atom. In the third Sc site, Sc(3) is bonded in a 5-coordinate geometry to three equivalent Cd(1) and two equivalent Te(1) atoms. In the fourth Sc site, Sc(4) is bonded in a 4-coordinate geometry to one Cd(1), one Te(1), and three equivalent Te(2) atoms. In the fifth Sc site, Sc(5) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one Te(2) atom. In the sixth Sc site, Sc(6) is bonded to two equivalent Cd(1), one Te(1), and two equivalent Te(2) atoms to form distorted edge-sharing ScCd2Te3 square pyramids. Cd(1) is bonded in a 9-coordinate geometry to one Sc(2), one Sc(4), two equivalent Sc(5), two equivalent Sc(6), and three equivalent Sc(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 8-coordinate geometry to one Sc(5), two equivalent Sc(1), two equivalent Sc(6), and three equivalent Sc(4) atoms. In the second Te site, Te(1) is bonded to one Sc(2), one Sc(4), one Sc(6), two equivalent Sc(1), and two equivalent Sc(3) atoms to form distorted edge-sharing TeSc7 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Sc6CdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.932
_cell_length_b   20.492
_cell_length_c   10.894
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   877.690
_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  0.750  0.637  0.941  1.0
  Sc  Sc1  1  0.250  0.363  0.059  1.0
  Sc  Sc2  1  0.250  0.863  0.441  1.0
  Sc  Sc3  1  0.750  0.137  0.559  1.0
  Sc  Sc4  1  0.750  0.994  0.392  1.0
  Sc  Sc5  1  0.250  0.006  0.608  1.0
  Sc  Sc6  1  0.250  0.506  0.892  1.0
  Sc  Sc7  1  0.750  0.494  0.108  1.0
  Sc  Sc8  1  0.750  0.530  0.629  1.0
  Sc  Sc9  1  0.250  0.470  0.371  1.0
  Sc  Sc10  1  0.250  0.970  0.129  1.0
  Sc  Sc11  1  0.750  0.030  0.871  1.0
  Sc  Sc12  1  0.750  0.731  0.260  1.0
  Sc  Sc13  1  0.250  0.269  0.740  1.0
  Sc  Sc14  1  0.250  0.769  0.760  1.0
  Sc  Sc15  1  0.750  0.231  0.240  1.0
  Sc  Sc16  1  0.750  0.891  0.675  1.0
  Sc  Sc17  1  0.250  0.109  0.325  1.0
  Sc  Sc18  1  0.250  0.609  0.175  1.0
  Sc  Sc19  1  0.750  0.391  0.825  1.0
  Sc  Sc20  1  0.750  0.836  0.977  1.0
  Sc  Sc21  1  0.250  0.164  0.023  1.0
  Sc  Sc22  1  0.250  0.664  0.477  1.0
  Sc  Sc23  1  0.750  0.336  0.523  1.0
  Cd  Cd24  1  0.750  0.577  0.366  1.0
  Cd  Cd25  1  0.250  0.423  0.634  1.0
  Cd  Cd26  1  0.250  0.923  0.866  1.0
  Cd  Cd27  1  0.750  0.077  0.134  1.0
  Te  Te28  1  0.750  0.875  0.235  1.0
  Te  Te29  1  0.250  0.125  0.765  1.0
  Te  Te30  1  0.250  0.625  0.735  1.0
  Te  Te31  1  0.750  0.375  0.265  1.0
  Te  Te32  1  0.750  0.765  0.545  1.0
  Te  Te33  1  0.250  0.235  0.455  1.0
  Te  Te34  1  0.250  0.735  0.045  1.0
  Te  Te35  1  0.750  0.265  0.955  1.0
[/CIF]
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