The crystal structure described by Yb(CuSe)3 crystallizes in the trigonal R-3 space group. Yb(1) is bonded to six equivalent Se(1) atoms to form YbSe6 octahedra that share corners with twelve equivalent Cu(1)Se4 tetrahedra, edges with three equivalent Yb(1)Se6 octahedra, and edges with six equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Yb(1)Se6 octahedra, corners with six equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Yb(1)Se6 octahedra, and edges with three equivalent Cu(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-55°. Se(1) is bonded in a 6-coordinate geometry to two equivalent Yb(1) and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Yb(CuSe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.866
_cell_length_b   7.866
_cell_length_c   7.866
_cell_angle_alpha   52.342
_cell_angle_beta   52.342
_cell_angle_gamma   52.342
_symmetry_Int_Tables_number   1
_cell_volume   282.286
_cell_formula_units_Z   2
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  0.666  0.666  0.666  1.0
  Yb  Yb1  1  0.334  0.334  0.334  1.0
  Cu  Cu2  1  0.874  0.535  0.218  1.0
  Cu  Cu3  1  0.535  0.218  0.874  1.0
  Cu  Cu4  1  0.218  0.874  0.535  1.0
  Cu  Cu5  1  0.782  0.126  0.465  1.0
  Cu  Cu6  1  0.465  0.782  0.126  1.0
  Cu  Cu7  1  0.126  0.465  0.782  1.0
  Se  Se8  1  0.085  0.758  0.413  1.0
  Se  Se9  1  0.413  0.085  0.758  1.0
  Se  Se10  1  0.758  0.413  0.085  1.0
  Se  Se11  1  0.242  0.587  0.915  1.0
  Se  Se12  1  0.587  0.915  0.242  1.0
  Se  Se13  1  0.915  0.242  0.587  1.0
[/CIF]
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The crystal structure described by Yb(CuSe)3 crystallizes in the trigonal R-3 space group. Yb(1) is bonded to six equivalent Se(1) atoms to form YbSe6 octahedra that share corners with twelve equivalent Cu(1)Se4 tetrahedra, edges with three equivalent Yb(1)Se6 octahedra, and edges with six equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Yb(1)Se6 octahedra, corners with six equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Yb(1)Se6 octahedra, and edges with three equivalent Cu(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-55°. Se(1) is bonded in a 6-coordinate geometry to two equivalent Yb(1) and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Yb(CuSe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.866
_cell_length_b   7.866
_cell_length_c   7.866
_cell_angle_alpha   52.342
_cell_angle_beta   52.342
_cell_angle_gamma   52.342
_symmetry_Int_Tables_number   1
_cell_volume   282.286
_cell_formula_units_Z   2
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  0.666  0.666  0.666  1.0
  Yb  Yb1  1  0.334  0.334  0.334  1.0
  Cu  Cu2  1  0.874  0.535  0.218  1.0
  Cu  Cu3  1  0.535  0.218  0.874  1.0
  Cu  Cu4  1  0.218  0.874  0.535  1.0
  Cu  Cu5  1  0.782  0.126  0.465  1.0
  Cu  Cu6  1  0.465  0.782  0.126  1.0
  Cu  Cu7  1  0.126  0.465  0.782  1.0
  Se  Se8  1  0.085  0.758  0.413  1.0
  Se  Se9  1  0.413  0.085  0.758  1.0
  Se  Se10  1  0.758  0.413  0.085  1.0
  Se  Se11  1  0.242  0.587  0.915  1.0
  Se  Se12  1  0.587  0.915  0.242  1.0
  Se  Se13  1  0.915  0.242  0.587  1.0
[/CIF]
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