The structure described by Yb2Se3 crystallizes in the orthorhombic Fddd space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. In the second Yb site, Yb(2) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form a mixture of distorted edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a see-saw-like geometry to two equivalent Yb(1) and two equivalent Yb(2) atoms. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Yb(1), two equivalent Yb(2), and one Se(2) atom. is represented by the CIF card [CIF]
data_Yb2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.026
_cell_length_b   15.259
_cell_length_c   6.806
_cell_angle_alpha   83.832
_cell_angle_beta   71.191
_cell_angle_gamma   24.976
_symmetry_Int_Tables_number   1
_cell_volume   589.842
_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
  Yb  Yb0  1  0.750  0.750  0.250  1.0
  Yb  Yb1  1  0.250  0.250  0.750  1.0
  Yb  Yb2  1  0.500  0.500  0.000  1.0
  Yb  Yb3  1  0.000  0.000  0.500  1.0
  Yb  Yb4  1  0.091  0.091  0.909  1.0
  Yb  Yb5  1  0.909  0.909  0.091  1.0
  Yb  Yb6  1  0.159  0.159  0.341  1.0
  Yb  Yb7  1  0.341  0.341  0.159  1.0
  Se  Se8  1  0.084  0.575  0.914  1.0
  Se  Se9  1  0.427  0.914  0.575  1.0
  Se  Se10  1  0.914  0.427  0.084  1.0
  Se  Se11  1  0.575  0.084  0.427  1.0
  Se  Se12  1  0.166  0.675  0.336  1.0
  Se  Se13  1  0.823  0.336  0.675  1.0
  Se  Se14  1  0.336  0.823  0.166  1.0
  Se  Se15  1  0.675  0.166  0.823  1.0
  Se  Se16  1  0.068  0.432  0.432  1.0
  Se  Se17  1  0.432  0.068  0.068  1.0
  Se  Se18  1  0.182  0.818  0.818  1.0
  Se  Se19  1  0.818  0.182  0.182  1.0
[/CIF]
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The structure described by Yb2Se3 crystallizes in the orthorhombic Fddd space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. In the second Yb site, Yb(2) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form a mixture of distorted edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a see-saw-like geometry to two equivalent Yb(1) and two equivalent Yb(2) atoms. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Yb(1), two equivalent Yb(2), and one Se(2) atom. is represented by the CIF card [CIF]
data_Yb2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.026
_cell_length_b   15.259
_cell_length_c   6.806
_cell_angle_alpha   83.832
_cell_angle_beta   71.191
_cell_angle_gamma   24.976
_symmetry_Int_Tables_number   1
_cell_volume   589.842
_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
  Yb  Yb0  1  0.750  0.750  0.250  1.0
  Yb  Yb1  1  0.250  0.250  0.750  1.0
  Yb  Yb2  1  0.500  0.500  0.000  1.0
  Yb  Yb3  1  0.000  0.000  0.500  1.0
  Yb  Yb4  1  0.091  0.091  0.909  1.0
  Yb  Yb5  1  0.909  0.909  0.091  1.0
  Yb  Yb6  1  0.159  0.159  0.341  1.0
  Yb  Yb7  1  0.341  0.341  0.159  1.0
  Se  Se8  1  0.084  0.575  0.914  1.0
  Se  Se9  1  0.427  0.914  0.575  1.0
  Se  Se10  1  0.914  0.427  0.084  1.0
  Se  Se11  1  0.575  0.084  0.427  1.0
  Se  Se12  1  0.166  0.675  0.336  1.0
  Se  Se13  1  0.823  0.336  0.675  1.0
  Se  Se14  1  0.336  0.823  0.166  1.0
  Se  Se15  1  0.675  0.166  0.823  1.0
  Se  Se16  1  0.068  0.432  0.432  1.0
  Se  Se17  1  0.432  0.068  0.068  1.0
  Se  Se18  1  0.182  0.818  0.818  1.0
  Se  Se19  1  0.818  0.182  0.182  1.0
[/CIF]
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