The material structure described by CsYbCoSe3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Se(1) and six equivalent Se(2) atoms. Yb(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form YbSe6 octahedra that share corners with two equivalent Yb(1)Se6 octahedra, edges with two equivalent Yb(1)Se6 octahedra, and edges with four equivalent Co(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. Co(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form CoSe4 tetrahedra that share corners with two equivalent Co(1)Se4 tetrahedra and edges with four equivalent Yb(1)Se6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Yb(1), and two equivalent Co(1) atoms. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent Cs(1), two equivalent Yb(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_CsYbCoSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.425
_cell_length_b   8.425
_cell_length_c   11.262
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   151.958
_symmetry_Int_Tables_number   1
_cell_volume   375.837
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.263  0.737  0.750  1.0
  Cs  Cs1  1  0.737  0.263  0.250  1.0
  Yb  Yb2  1  0.000  0.000  0.000  1.0
  Yb  Yb3  1  0.000  0.000  0.500  1.0
  Co  Co4  1  0.540  0.460  0.750  1.0
  Co  Co5  1  0.460  0.540  0.250  1.0
  Se  Se6  1  0.954  0.046  0.750  1.0
  Se  Se7  1  0.046  0.954  0.250  1.0
  Se  Se8  1  0.617  0.383  0.923  1.0
  Se  Se9  1  0.383  0.617  0.077  1.0
  Se  Se10  1  0.383  0.617  0.423  1.0
  Se  Se11  1  0.617  0.383  0.577  1.0
[/CIF]
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The material structure described by CsYbCoSe3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Se(1) and six equivalent Se(2) atoms. Yb(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form YbSe6 octahedra that share corners with two equivalent Yb(1)Se6 octahedra, edges with two equivalent Yb(1)Se6 octahedra, and edges with four equivalent Co(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. Co(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form CoSe4 tetrahedra that share corners with two equivalent Co(1)Se4 tetrahedra and edges with four equivalent Yb(1)Se6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Yb(1), and two equivalent Co(1) atoms. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent Cs(1), two equivalent Yb(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_CsYbCoSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.425
_cell_length_b   8.425
_cell_length_c   11.262
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   151.958
_symmetry_Int_Tables_number   1
_cell_volume   375.837
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.263  0.737  0.750  1.0
  Cs  Cs1  1  0.737  0.263  0.250  1.0
  Yb  Yb2  1  0.000  0.000  0.000  1.0
  Yb  Yb3  1  0.000  0.000  0.500  1.0
  Co  Co4  1  0.540  0.460  0.750  1.0
  Co  Co5  1  0.460  0.540  0.250  1.0
  Se  Se6  1  0.954  0.046  0.750  1.0
  Se  Se7  1  0.046  0.954  0.250  1.0
  Se  Se8  1  0.617  0.383  0.923  1.0
  Se  Se9  1  0.383  0.617  0.077  1.0
  Se  Se10  1  0.383  0.617  0.423  1.0
  Se  Se11  1  0.617  0.383  0.577  1.0
[/CIF]
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