The crystal structure described by Y2Se3 crystallizes in the orthorhombic Fddd space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of corner and edge-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Y site, Y(2) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of corner and edge-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to two equivalent Y(1) and two equivalent Y(2) atoms. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to two equivalent Y(1) and two equivalent Y(2) atoms. is represented by the CIF card [CIF]
data_Y2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.082
_cell_length_b   7.082
_cell_length_c   12.936
_cell_angle_alpha   100.642
_cell_angle_beta   100.642
_cell_angle_gamma   108.986
_symmetry_Int_Tables_number   1
_cell_volume   581.622
_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
  Y  Y0  1  0.709  0.959  0.918  1.0
  Y  Y1  1  0.541  0.791  0.582  1.0
  Y  Y2  1  0.291  0.041  0.082  1.0
  Y  Y3  1  0.459  0.209  0.418  1.0
  Y  Y4  1  0.372  0.622  0.244  1.0
  Y  Y5  1  0.878  0.128  0.256  1.0
  Y  Y6  1  0.628  0.378  0.756  1.0
  Y  Y7  1  0.122  0.872  0.744  1.0
  Se  Se8  1  0.866  0.116  0.750  1.0
  Se  Se9  1  0.384  0.634  0.750  1.0
  Se  Se10  1  0.134  0.884  0.250  1.0
  Se  Se11  1  0.616  0.366  0.250  1.0
  Se  Se12  1  0.549  0.806  0.088  1.0
  Se  Se13  1  0.694  0.951  0.412  1.0
  Se  Se14  1  0.218  0.461  0.412  1.0
  Se  Se15  1  0.039  0.282  0.088  1.0
  Se  Se16  1  0.451  0.194  0.912  1.0
  Se  Se17  1  0.306  0.049  0.588  1.0
  Se  Se18  1  0.782  0.539  0.588  1.0
  Se  Se19  1  0.961  0.718  0.912  1.0
[/CIF]
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The crystal structure described by Y2Se3 crystallizes in the orthorhombic Fddd space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of corner and edge-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Y site, Y(2) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of corner and edge-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to two equivalent Y(1) and two equivalent Y(2) atoms. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to two equivalent Y(1) and two equivalent Y(2) atoms. is represented by the CIF card [CIF]
data_Y2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.082
_cell_length_b   7.082
_cell_length_c   12.936
_cell_angle_alpha   100.642
_cell_angle_beta   100.642
_cell_angle_gamma   108.986
_symmetry_Int_Tables_number   1
_cell_volume   581.622
_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
  Y  Y0  1  0.709  0.959  0.918  1.0
  Y  Y1  1  0.541  0.791  0.582  1.0
  Y  Y2  1  0.291  0.041  0.082  1.0
  Y  Y3  1  0.459  0.209  0.418  1.0
  Y  Y4  1  0.372  0.622  0.244  1.0
  Y  Y5  1  0.878  0.128  0.256  1.0
  Y  Y6  1  0.628  0.378  0.756  1.0
  Y  Y7  1  0.122  0.872  0.744  1.0
  Se  Se8  1  0.866  0.116  0.750  1.0
  Se  Se9  1  0.384  0.634  0.750  1.0
  Se  Se10  1  0.134  0.884  0.250  1.0
  Se  Se11  1  0.616  0.366  0.250  1.0
  Se  Se12  1  0.549  0.806  0.088  1.0
  Se  Se13  1  0.694  0.951  0.412  1.0
  Se  Se14  1  0.218  0.461  0.412  1.0
  Se  Se15  1  0.039  0.282  0.088  1.0
  Se  Se16  1  0.451  0.194  0.912  1.0
  Se  Se17  1  0.306  0.049  0.588  1.0
  Se  Se18  1  0.782  0.539  0.588  1.0
  Se  Se19  1  0.961  0.718  0.912  1.0
[/CIF]
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