The structure described by Lu2Se3 crystallizes in the orthorhombic Fddd space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of corner and edge-sharing LuSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Lu site, Lu(2) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of corner and edge-sharing LuSe6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. 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 Lu(1) and two equivalent Lu(2) atoms. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to two equivalent Lu(1) and two equivalent Lu(2) atoms. is represented by the CIF file [CIF]
data_Lu2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.898
_cell_length_b   6.898
_cell_length_c   12.590
_cell_angle_alpha   100.631
_cell_angle_beta   100.631
_cell_angle_gamma   109.064
_symmetry_Int_Tables_number   1
_cell_volume   536.798
_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
  Lu  Lu0  1  0.709  0.959  0.918  1.0
  Lu  Lu1  1  0.541  0.791  0.582  1.0
  Lu  Lu2  1  0.291  0.041  0.082  1.0
  Lu  Lu3  1  0.459  0.209  0.418  1.0
  Lu  Lu4  1  0.373  0.623  0.245  1.0
  Lu  Lu5  1  0.877  0.127  0.255  1.0
  Lu  Lu6  1  0.627  0.377  0.755  1.0
  Lu  Lu7  1  0.123  0.873  0.745  1.0
  Se  Se8  1  0.869  0.119  0.750  1.0
  Se  Se9  1  0.381  0.631  0.750  1.0
  Se  Se10  1  0.131  0.881  0.250  1.0
  Se  Se11  1  0.619  0.369  0.250  1.0
  Se  Se12  1  0.548  0.803  0.087  1.0
  Se  Se13  1  0.697  0.952  0.413  1.0
  Se  Se14  1  0.216  0.460  0.413  1.0
  Se  Se15  1  0.040  0.284  0.087  1.0
  Se  Se16  1  0.452  0.197  0.913  1.0
  Se  Se17  1  0.303  0.048  0.587  1.0
  Se  Se18  1  0.784  0.540  0.587  1.0
  Se  Se19  1  0.960  0.716  0.913  1.0
[/CIF]
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The structure described by Lu2Se3 crystallizes in the orthorhombic Fddd space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of corner and edge-sharing LuSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Lu site, Lu(2) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of corner and edge-sharing LuSe6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. 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 Lu(1) and two equivalent Lu(2) atoms. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to two equivalent Lu(1) and two equivalent Lu(2) atoms. is represented by the CIF file [CIF]
data_Lu2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.898
_cell_length_b   6.898
_cell_length_c   12.590
_cell_angle_alpha   100.631
_cell_angle_beta   100.631
_cell_angle_gamma   109.064
_symmetry_Int_Tables_number   1
_cell_volume   536.798
_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
  Lu  Lu0  1  0.709  0.959  0.918  1.0
  Lu  Lu1  1  0.541  0.791  0.582  1.0
  Lu  Lu2  1  0.291  0.041  0.082  1.0
  Lu  Lu3  1  0.459  0.209  0.418  1.0
  Lu  Lu4  1  0.373  0.623  0.245  1.0
  Lu  Lu5  1  0.877  0.127  0.255  1.0
  Lu  Lu6  1  0.627  0.377  0.755  1.0
  Lu  Lu7  1  0.123  0.873  0.745  1.0
  Se  Se8  1  0.869  0.119  0.750  1.0
  Se  Se9  1  0.381  0.631  0.750  1.0
  Se  Se10  1  0.131  0.881  0.250  1.0
  Se  Se11  1  0.619  0.369  0.250  1.0
  Se  Se12  1  0.548  0.803  0.087  1.0
  Se  Se13  1  0.697  0.952  0.413  1.0
  Se  Se14  1  0.216  0.460  0.413  1.0
  Se  Se15  1  0.040  0.284  0.087  1.0
  Se  Se16  1  0.452  0.197  0.913  1.0
  Se  Se17  1  0.303  0.048  0.587  1.0
  Se  Se18  1  0.784  0.540  0.587  1.0
  Se  Se19  1  0.960  0.716  0.913  1.0
[/CIF]
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