The structure described by Yb3Se4 crystallizes in the orthorhombic Cmmm 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 corner and edge-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second Yb site, Yb(2) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form edge-sharing YbSe6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Yb(2) and four equivalent Yb(1) atoms to form a mixture of corner and edge-sharing SeYb5 square pyramids. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to two equivalent Yb(1) and two equivalent Yb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.187
_cell_length_b   7.187
_cell_length_c   4.180
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.329
_symmetry_Int_Tables_number   1
_cell_volume   202.425
_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
  Yb  Yb0  1  0.000  0.500  0.000  1.0
  Yb  Yb1  1  0.000  0.000  0.500  1.0
  Yb  Yb2  1  0.500  0.000  0.000  1.0
  Se  Se3  1  0.753  0.247  0.500  1.0
  Se  Se4  1  0.760  0.760  0.000  1.0
  Se  Se5  1  0.247  0.753  0.500  1.0
  Se  Se6  1  0.240  0.240  0.000  1.0
[/CIF]
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The structure described by Yb3Se4 crystallizes in the orthorhombic Cmmm 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 corner and edge-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second Yb site, Yb(2) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form edge-sharing YbSe6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Yb(2) and four equivalent Yb(1) atoms to form a mixture of corner and edge-sharing SeYb5 square pyramids. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to two equivalent Yb(1) and two equivalent Yb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.187
_cell_length_b   7.187
_cell_length_c   4.180
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.329
_symmetry_Int_Tables_number   1
_cell_volume   202.425
_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
  Yb  Yb0  1  0.000  0.500  0.000  1.0
  Yb  Yb1  1  0.000  0.000  0.500  1.0
  Yb  Yb2  1  0.500  0.000  0.000  1.0
  Se  Se3  1  0.753  0.247  0.500  1.0
  Se  Se4  1  0.760  0.760  0.000  1.0
  Se  Se5  1  0.247  0.753  0.500  1.0
  Se  Se6  1  0.240  0.240  0.000  1.0
[/CIF]
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