The material 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 in a 6-coordinate geometry to two equivalent Se(1) and four equivalent Se(2) atoms. In the second Yb site, Yb(2) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of corner and edge-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent Yb(1), two equivalent Yb(2), and one Se(1) atom. In the second Se site, Se(2) is bonded in a see-saw-like geometry to two equivalent Yb(1) and two equivalent Yb(2) atoms. is represented by the CIF file [CIF]
data_Yb2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.260
_cell_length_b   14.629
_cell_length_c   7.030
_cell_angle_alpha   81.461
_cell_angle_beta   71.439
_cell_angle_gamma   27.100
_symmetry_Int_Tables_number   1
_cell_volume   643.778
_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  0.346  0.346  0.154  1.0
  Yb  Yb1  1  0.154  0.154  0.346  1.0
  Yb  Yb2  1  0.904  0.904  0.096  1.0
  Yb  Yb3  1  0.096  0.096  0.904  1.0
  Yb  Yb4  1  0.995  0.995  0.505  1.0
  Yb  Yb5  1  0.505  0.505  0.995  1.0
  Yb  Yb6  1  0.255  0.255  0.745  1.0
  Yb  Yb7  1  0.745  0.745  0.255  1.0
  Se  Se8  1  0.097  0.403  0.403  1.0
  Se  Se9  1  0.403  0.097  0.097  1.0
  Se  Se10  1  0.153  0.847  0.847  1.0
  Se  Se11  1  0.847  0.153  0.153  1.0
  Se  Se12  1  0.656  0.191  0.841  1.0
  Se  Se13  1  0.841  0.312  0.656  1.0
  Se  Se14  1  0.312  0.841  0.191  1.0
  Se  Se15  1  0.191  0.656  0.312  1.0
  Se  Se16  1  0.594  0.059  0.409  1.0
  Se  Se17  1  0.409  0.938  0.594  1.0
  Se  Se18  1  0.938  0.409  0.059  1.0
  Se  Se19  1  0.059  0.594  0.938  1.0
[/CIF]
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The material 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 in a 6-coordinate geometry to two equivalent Se(1) and four equivalent Se(2) atoms. In the second Yb site, Yb(2) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of corner and edge-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent Yb(1), two equivalent Yb(2), and one Se(1) atom. In the second Se site, Se(2) is bonded in a see-saw-like geometry to two equivalent Yb(1) and two equivalent Yb(2) atoms. is represented by the CIF file [CIF]
data_Yb2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.260
_cell_length_b   14.629
_cell_length_c   7.030
_cell_angle_alpha   81.461
_cell_angle_beta   71.439
_cell_angle_gamma   27.100
_symmetry_Int_Tables_number   1
_cell_volume   643.778
_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  0.346  0.346  0.154  1.0
  Yb  Yb1  1  0.154  0.154  0.346  1.0
  Yb  Yb2  1  0.904  0.904  0.096  1.0
  Yb  Yb3  1  0.096  0.096  0.904  1.0
  Yb  Yb4  1  0.995  0.995  0.505  1.0
  Yb  Yb5  1  0.505  0.505  0.995  1.0
  Yb  Yb6  1  0.255  0.255  0.745  1.0
  Yb  Yb7  1  0.745  0.745  0.255  1.0
  Se  Se8  1  0.097  0.403  0.403  1.0
  Se  Se9  1  0.403  0.097  0.097  1.0
  Se  Se10  1  0.153  0.847  0.847  1.0
  Se  Se11  1  0.847  0.153  0.153  1.0
  Se  Se12  1  0.656  0.191  0.841  1.0
  Se  Se13  1  0.841  0.312  0.656  1.0
  Se  Se14  1  0.312  0.841  0.191  1.0
  Se  Se15  1  0.191  0.656  0.312  1.0
  Se  Se16  1  0.594  0.059  0.409  1.0
  Se  Se17  1  0.409  0.938  0.594  1.0
  Se  Se18  1  0.938  0.409  0.059  1.0
  Se  Se19  1  0.059  0.594  0.938  1.0
[/CIF]
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