The material described by Rb2TeSe4 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 9-coordinate geometry to one Te(1) and eight equivalent Se(1) atoms. Te(1) is bonded to two equivalent Rb(1) and four equivalent Se(1) atoms to form TeRb2Se4 octahedra that share corners with twelve equivalent Se(1)Rb4TeSe octahedra and edges with four equivalent Se(1)Rb4TeSe octahedra. The corner-sharing octahedral tilt angles range from 53-98°. Se(1) is bonded to four equivalent Rb(1), one Te(1), and one Se(1) atom to form distorted SeRb4TeSe octahedra that share corners with three equivalent Te(1)Rb2Se4 octahedra, corners with thirteen equivalent Se(1)Rb4TeSe octahedra,  an edgeedge with one Te(1)Rb2Se4 octahedra, edges with six equivalent Se(1)Rb4TeSe octahedra, and faces with two equivalent Se(1)Rb4TeSe octahedra. The corner-sharing octahedral tilt angles range from 0-98°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2TeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.074
_cell_length_b   7.074
_cell_length_c   5.323
_cell_angle_alpha   70.227
_cell_angle_beta   70.227
_cell_angle_gamma   75.788
_symmetry_Int_Tables_number   1
_cell_volume   233.255
_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  0.323  0.323  0.337  1.0
  Rb  Rb1  1  0.677  0.677  0.663  1.0
  Te  Te2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.847  0.316  0.266  1.0
  Se  Se4  1  0.316  0.847  0.266  1.0
  Se  Se5  1  0.153  0.684  0.734  1.0
  Se  Se6  1  0.684  0.153  0.734  1.0
[/CIF]
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The material described by Rb2TeSe4 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 9-coordinate geometry to one Te(1) and eight equivalent Se(1) atoms. Te(1) is bonded to two equivalent Rb(1) and four equivalent Se(1) atoms to form TeRb2Se4 octahedra that share corners with twelve equivalent Se(1)Rb4TeSe octahedra and edges with four equivalent Se(1)Rb4TeSe octahedra. The corner-sharing octahedral tilt angles range from 53-98°. Se(1) is bonded to four equivalent Rb(1), one Te(1), and one Se(1) atom to form distorted SeRb4TeSe octahedra that share corners with three equivalent Te(1)Rb2Se4 octahedra, corners with thirteen equivalent Se(1)Rb4TeSe octahedra,  an edgeedge with one Te(1)Rb2Se4 octahedra, edges with six equivalent Se(1)Rb4TeSe octahedra, and faces with two equivalent Se(1)Rb4TeSe octahedra. The corner-sharing octahedral tilt angles range from 0-98°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2TeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.074
_cell_length_b   7.074
_cell_length_c   5.323
_cell_angle_alpha   70.227
_cell_angle_beta   70.227
_cell_angle_gamma   75.788
_symmetry_Int_Tables_number   1
_cell_volume   233.255
_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  0.323  0.323  0.337  1.0
  Rb  Rb1  1  0.677  0.677  0.663  1.0
  Te  Te2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.847  0.316  0.266  1.0
  Se  Se4  1  0.316  0.847  0.266  1.0
  Se  Se5  1  0.153  0.684  0.734  1.0
  Se  Se6  1  0.684  0.153  0.734  1.0
[/CIF]
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