The compound described by YbCuSe2 is Modderite-derived structured and crystallizes in the trigonal P-3m1 space group. Yb(1) is bonded to six equivalent Se(1) atoms to form distorted YbSe6 octahedra that share corners with twelve equivalent Cu(1)Se6 octahedra, edges with six equivalent Yb(1)Se6 octahedra, and faces with two equivalent Cu(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 48°. Cu(1) is bonded to six equivalent Se(1) atoms to form distorted CuSe6 octahedra that share corners with twelve equivalent Yb(1)Se6 octahedra, edges with six equivalent Cu(1)Se6 octahedra, and faces with two equivalent Yb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 48°. Se(1) is bonded to three equivalent Yb(1) and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SeYb3Cu3 pentagonal pyramids. is represented by the CIF card [CIF]
data_YbCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.879
_cell_length_b   3.879
_cell_length_c   6.482
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   84.489
_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  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.333  0.667  0.213  1.0
  Se  Se3  1  0.667  0.333  0.787  1.0
[/CIF]
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The compound described by YbCuSe2 is Modderite-derived structured and crystallizes in the trigonal P-3m1 space group. Yb(1) is bonded to six equivalent Se(1) atoms to form distorted YbSe6 octahedra that share corners with twelve equivalent Cu(1)Se6 octahedra, edges with six equivalent Yb(1)Se6 octahedra, and faces with two equivalent Cu(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 48°. Cu(1) is bonded to six equivalent Se(1) atoms to form distorted CuSe6 octahedra that share corners with twelve equivalent Yb(1)Se6 octahedra, edges with six equivalent Cu(1)Se6 octahedra, and faces with two equivalent Yb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 48°. Se(1) is bonded to three equivalent Yb(1) and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SeYb3Cu3 pentagonal pyramids. is represented by the CIF card [CIF]
data_YbCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.879
_cell_length_b   3.879
_cell_length_c   6.482
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   84.489
_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  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.333  0.667  0.213  1.0
  Se  Se3  1  0.667  0.333  0.787  1.0
[/CIF]
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