The material described by Lu2Te3 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 Te(1) and four equivalent Te(2) atoms to form a mixture of corner and edge-sharing LuTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Lu site, Lu(2) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form a mixture of corner and edge-sharing LuTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to two equivalent Lu(1) and two equivalent Lu(2) atoms. In the second Te site, Te(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 card [CIF]
data_Lu2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.414
_cell_length_b   7.414
_cell_length_c   13.510
_cell_angle_alpha   100.581
_cell_angle_beta   100.581
_cell_angle_gamma   109.318
_symmetry_Int_Tables_number   1
_cell_volume   664.616
_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  0.708  0.958  0.916  1.0
  Lu  Lu1  1  0.542  0.792  0.584  1.0
  Lu  Lu2  1  0.292  0.042  0.084  1.0
  Lu  Lu3  1  0.458  0.208  0.416  1.0
  Lu  Lu4  1  0.374  0.624  0.249  1.0
  Lu  Lu5  1  0.876  0.126  0.251  1.0
  Lu  Lu6  1  0.626  0.376  0.751  1.0
  Lu  Lu7  1  0.124  0.874  0.749  1.0
  Te  Te8  1  0.875  0.125  0.750  1.0
  Te  Te9  1  0.375  0.625  0.750  1.0
  Te  Te10  1  0.125  0.875  0.250  1.0
  Te  Te11  1  0.625  0.375  0.250  1.0
  Te  Te12  1  0.544  0.796  0.085  1.0
  Te  Te13  1  0.704  0.956  0.415  1.0
  Te  Te14  1  0.211  0.459  0.415  1.0
  Te  Te15  1  0.041  0.289  0.085  1.0
  Te  Te16  1  0.456  0.204  0.915  1.0
  Te  Te17  1  0.296  0.044  0.585  1.0
  Te  Te18  1  0.789  0.541  0.585  1.0
  Te  Te19  1  0.959  0.711  0.915  1.0
[/CIF]
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The material described by Lu2Te3 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 Te(1) and four equivalent Te(2) atoms to form a mixture of corner and edge-sharing LuTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Lu site, Lu(2) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form a mixture of corner and edge-sharing LuTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to two equivalent Lu(1) and two equivalent Lu(2) atoms. In the second Te site, Te(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 card [CIF]
data_Lu2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.414
_cell_length_b   7.414
_cell_length_c   13.510
_cell_angle_alpha   100.581
_cell_angle_beta   100.581
_cell_angle_gamma   109.318
_symmetry_Int_Tables_number   1
_cell_volume   664.616
_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  0.708  0.958  0.916  1.0
  Lu  Lu1  1  0.542  0.792  0.584  1.0
  Lu  Lu2  1  0.292  0.042  0.084  1.0
  Lu  Lu3  1  0.458  0.208  0.416  1.0
  Lu  Lu4  1  0.374  0.624  0.249  1.0
  Lu  Lu5  1  0.876  0.126  0.251  1.0
  Lu  Lu6  1  0.626  0.376  0.751  1.0
  Lu  Lu7  1  0.124  0.874  0.749  1.0
  Te  Te8  1  0.875  0.125  0.750  1.0
  Te  Te9  1  0.375  0.625  0.750  1.0
  Te  Te10  1  0.125  0.875  0.250  1.0
  Te  Te11  1  0.625  0.375  0.250  1.0
  Te  Te12  1  0.544  0.796  0.085  1.0
  Te  Te13  1  0.704  0.956  0.415  1.0
  Te  Te14  1  0.211  0.459  0.415  1.0
  Te  Te15  1  0.041  0.289  0.085  1.0
  Te  Te16  1  0.456  0.204  0.915  1.0
  Te  Te17  1  0.296  0.044  0.585  1.0
  Te  Te18  1  0.789  0.541  0.585  1.0
  Te  Te19  1  0.959  0.711  0.915  1.0
[/CIF]
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