The structure described by YbErSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Yb(1) is bonded to six equivalent Se(1) atoms to form YbSe6 octahedra that share corners with six equivalent Er(1)Se6 octahedra, edges with six equivalent Yb(1)Se6 octahedra, and edges with six equivalent Er(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 1°. Er(1) is bonded to six equivalent Se(1) atoms to form ErSe6 octahedra that share corners with six equivalent Yb(1)Se6 octahedra, edges with six equivalent Yb(1)Se6 octahedra, and edges with six equivalent Er(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 1°. Se(1) is bonded to three equivalent Yb(1) and three equivalent Er(1) atoms to form a mixture of corner and edge-sharing SeYb3Er3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_YbErSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.086
_cell_length_b   7.086
_cell_length_c   7.086
_cell_angle_alpha   33.062
_cell_angle_beta   33.062
_cell_angle_gamma   33.062
_symmetry_Int_Tables_number   1
_cell_volume   94.256
_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  0.500  0.500  0.500  1.0
  Er  Er1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.251  0.251  0.251  1.0
  Se  Se3  1  0.749  0.749  0.749  1.0
[/CIF]
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The structure described by YbErSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Yb(1) is bonded to six equivalent Se(1) atoms to form YbSe6 octahedra that share corners with six equivalent Er(1)Se6 octahedra, edges with six equivalent Yb(1)Se6 octahedra, and edges with six equivalent Er(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 1°. Er(1) is bonded to six equivalent Se(1) atoms to form ErSe6 octahedra that share corners with six equivalent Yb(1)Se6 octahedra, edges with six equivalent Yb(1)Se6 octahedra, and edges with six equivalent Er(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 1°. Se(1) is bonded to three equivalent Yb(1) and three equivalent Er(1) atoms to form a mixture of corner and edge-sharing SeYb3Er3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_YbErSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.086
_cell_length_b   7.086
_cell_length_c   7.086
_cell_angle_alpha   33.062
_cell_angle_beta   33.062
_cell_angle_gamma   33.062
_symmetry_Int_Tables_number   1
_cell_volume   94.256
_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  0.500  0.500  0.500  1.0
  Er  Er1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.251  0.251  0.251  1.0
  Se  Se3  1  0.749  0.749  0.749  1.0
[/CIF]
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