The material described by KYbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. K(1) is bonded to six equivalent Se(1) atoms to form distorted KSe6 octahedra that share corners with six equivalent Yb(1)Se6 octahedra, edges with six equivalent K(1)Se6 octahedra, and edges with six equivalent Yb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 10°. Yb(1) is bonded to six equivalent Se(1) atoms to form YbSe6 octahedra that share corners with six equivalent K(1)Se6 octahedra, edges with six equivalent K(1)Se6 octahedra, and edges with six equivalent Yb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 10°. Se(1) is bonded to three equivalent K(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing SeK3Yb3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_KYbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.099
_cell_length_b   8.099
_cell_length_c   8.099
_cell_angle_alpha   30.635
_cell_angle_beta   30.635
_cell_angle_gamma   30.635
_symmetry_Int_Tables_number   1
_cell_volume   122.291
_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
  K  K0  1  0.500  0.500  0.500  1.0
  Yb  Yb1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.736  0.736  0.736  1.0
  Se  Se3  1  0.264  0.264  0.264  1.0
[/CIF]
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The material described by KYbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. K(1) is bonded to six equivalent Se(1) atoms to form distorted KSe6 octahedra that share corners with six equivalent Yb(1)Se6 octahedra, edges with six equivalent K(1)Se6 octahedra, and edges with six equivalent Yb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 10°. Yb(1) is bonded to six equivalent Se(1) atoms to form YbSe6 octahedra that share corners with six equivalent K(1)Se6 octahedra, edges with six equivalent K(1)Se6 octahedra, and edges with six equivalent Yb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 10°. Se(1) is bonded to three equivalent K(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing SeK3Yb3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_KYbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.099
_cell_length_b   8.099
_cell_length_c   8.099
_cell_angle_alpha   30.635
_cell_angle_beta   30.635
_cell_angle_gamma   30.635
_symmetry_Int_Tables_number   1
_cell_volume   122.291
_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
  K  K0  1  0.500  0.500  0.500  1.0
  Yb  Yb1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.736  0.736  0.736  1.0
  Se  Se3  1  0.264  0.264  0.264  1.0
[/CIF]
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