The material structure described by RbSc5Te8 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent Te(1), four equivalent Te(2), and four equivalent Te(3) atoms. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one Te(1), two equivalent Te(4), and three equivalent Te(3) atoms to form a mixture of corner, edge, and face-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Sc site, Sc(2) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the third Sc site, Sc(3) is bonded to one Te(1), two equivalent Te(2), and three equivalent Te(4) atoms to form a mixture of corner, edge, and face-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Sc(1), one Sc(3), and two equivalent Sc(2) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Sc(2), and two equivalent Sc(3) atoms. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to two equivalent Rb(1) and three equivalent Sc(1) atoms. In the fourth Te site, Te(4) is bonded to two equivalent Sc(1) and three equivalent Sc(3) atoms to form distorted edge-sharing TeSc5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbSc5Te8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.186
_cell_length_b   10.343
_cell_length_c   10.965
_cell_angle_alpha   104.154
_cell_angle_beta   101.004
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.346
_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
  Rb  Rb0  1  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.205  0.844  0.410  1.0
  Sc  Sc2  1  0.500  0.500  0.000  1.0
  Sc  Sc3  1  0.844  0.524  0.688  1.0
  Sc  Sc4  1  0.156  0.476  0.312  1.0
  Sc  Sc5  1  0.795  0.156  0.590  1.0
  Te  Te6  1  0.925  0.336  0.849  1.0
  Te  Te7  1  0.075  0.664  0.151  1.0
  Te  Te8  1  0.585  0.316  0.169  1.0
  Te  Te9  1  0.415  0.684  0.831  1.0
  Te  Te10  1  0.665  0.997  0.330  1.0
  Te  Te11  1  0.335  0.003  0.670  1.0
  Te  Te12  1  0.738  0.658  0.475  1.0
  Te  Te13  1  0.262  0.342  0.525  1.0
[/CIF]
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The material structure described by RbSc5Te8 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent Te(1), four equivalent Te(2), and four equivalent Te(3) atoms. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one Te(1), two equivalent Te(4), and three equivalent Te(3) atoms to form a mixture of corner, edge, and face-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Sc site, Sc(2) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the third Sc site, Sc(3) is bonded to one Te(1), two equivalent Te(2), and three equivalent Te(4) atoms to form a mixture of corner, edge, and face-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Sc(1), one Sc(3), and two equivalent Sc(2) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Sc(2), and two equivalent Sc(3) atoms. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to two equivalent Rb(1) and three equivalent Sc(1) atoms. In the fourth Te site, Te(4) is bonded to two equivalent Sc(1) and three equivalent Sc(3) atoms to form distorted edge-sharing TeSc5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbSc5Te8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.186
_cell_length_b   10.343
_cell_length_c   10.965
_cell_angle_alpha   104.154
_cell_angle_beta   101.004
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.346
_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
  Rb  Rb0  1  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.205  0.844  0.410  1.0
  Sc  Sc2  1  0.500  0.500  0.000  1.0
  Sc  Sc3  1  0.844  0.524  0.688  1.0
  Sc  Sc4  1  0.156  0.476  0.312  1.0
  Sc  Sc5  1  0.795  0.156  0.590  1.0
  Te  Te6  1  0.925  0.336  0.849  1.0
  Te  Te7  1  0.075  0.664  0.151  1.0
  Te  Te8  1  0.585  0.316  0.169  1.0
  Te  Te9  1  0.415  0.684  0.831  1.0
  Te  Te10  1  0.665  0.997  0.330  1.0
  Te  Te11  1  0.335  0.003  0.670  1.0
  Te  Te12  1  0.738  0.658  0.475  1.0
  Te  Te13  1  0.262  0.342  0.525  1.0
[/CIF]
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