The material structure described by TbCuSe2 crystallizes in the monoclinic P2_1/c space group. Tb(1) is bonded in a 7-coordinate geometry to three equivalent Se(2) and four equivalent Se(1) atoms. Cu(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form a mixture of distorted edge and corner-sharing CuSe4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to four equivalent Tb(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing SeTb4Cu trigonal bipyramids. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent Tb(1) and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_TbCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.599
_cell_length_b   7.067
_cell_length_c   7.304
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.242
_symmetry_Int_Tables_number   1
_cell_volume   338.636
_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
  Tb  Tb0  1  0.194  0.299  0.544  1.0
  Tb  Tb1  1  0.806  0.201  0.044  1.0
  Tb  Tb2  1  0.806  0.701  0.456  1.0
  Tb  Tb3  1  0.194  0.799  0.956  1.0
  Cu  Cu4  1  0.429  0.954  0.342  1.0
  Cu  Cu5  1  0.571  0.046  0.658  1.0
  Cu  Cu6  1  0.429  0.454  0.158  1.0
  Cu  Cu7  1  0.571  0.546  0.842  1.0
  Se  Se8  1  0.925  0.503  0.775  1.0
  Se  Se9  1  0.925  0.003  0.725  1.0
  Se  Se10  1  0.075  0.997  0.275  1.0
  Se  Se11  1  0.075  0.497  0.225  1.0
  Se  Se12  1  0.597  0.281  0.388  1.0
  Se  Se13  1  0.403  0.219  0.888  1.0
  Se  Se14  1  0.403  0.719  0.612  1.0
  Se  Se15  1  0.597  0.781  0.112  1.0
[/CIF]
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The material structure described by TbCuSe2 crystallizes in the monoclinic P2_1/c space group. Tb(1) is bonded in a 7-coordinate geometry to three equivalent Se(2) and four equivalent Se(1) atoms. Cu(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form a mixture of distorted edge and corner-sharing CuSe4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to four equivalent Tb(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing SeTb4Cu trigonal bipyramids. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent Tb(1) and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_TbCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.599
_cell_length_b   7.067
_cell_length_c   7.304
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.242
_symmetry_Int_Tables_number   1
_cell_volume   338.636
_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
  Tb  Tb0  1  0.194  0.299  0.544  1.0
  Tb  Tb1  1  0.806  0.201  0.044  1.0
  Tb  Tb2  1  0.806  0.701  0.456  1.0
  Tb  Tb3  1  0.194  0.799  0.956  1.0
  Cu  Cu4  1  0.429  0.954  0.342  1.0
  Cu  Cu5  1  0.571  0.046  0.658  1.0
  Cu  Cu6  1  0.429  0.454  0.158  1.0
  Cu  Cu7  1  0.571  0.546  0.842  1.0
  Se  Se8  1  0.925  0.503  0.775  1.0
  Se  Se9  1  0.925  0.003  0.725  1.0
  Se  Se10  1  0.075  0.997  0.275  1.0
  Se  Se11  1  0.075  0.497  0.225  1.0
  Se  Se12  1  0.597  0.281  0.388  1.0
  Se  Se13  1  0.403  0.219  0.888  1.0
  Se  Se14  1  0.403  0.719  0.612  1.0
  Se  Se15  1  0.597  0.781  0.112  1.0
[/CIF]
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