The material described by KYb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent Yb(2) and eight equivalent Yb(1) atoms to form KYb12 cuboctahedra that share corners with four equivalent K(1)Yb12 cuboctahedra, corners with eight equivalent Yb(2)K4Yb8 cuboctahedra, edges with eight equivalent K(1)Yb12 cuboctahedra, edges with sixteen equivalent Yb(1)K4Yb8 cuboctahedra, faces with four equivalent K(1)Yb12 cuboctahedra, faces with six equivalent Yb(2)K4Yb8 cuboctahedra, and faces with eight equivalent Yb(1)K4Yb8 cuboctahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to four equivalent K(1), four equivalent Yb(1), and four equivalent Yb(2) atoms to form YbK4Yb8 cuboctahedra that share corners with twelve equivalent Yb(1)K4Yb8 cuboctahedra, edges with eight equivalent K(1)Yb12 cuboctahedra, edges with eight equivalent Yb(1)K4Yb8 cuboctahedra, edges with eight equivalent Yb(2)K4Yb8 cuboctahedra, faces with four equivalent K(1)Yb12 cuboctahedra, faces with four equivalent Yb(2)K4Yb8 cuboctahedra, and faces with ten equivalent Yb(1)K4Yb8 cuboctahedra. In the second Yb site, Yb(2) is bonded to four equivalent K(1) and eight equivalent Yb(1) atoms to form YbK4Yb8 cuboctahedra that share corners with four equivalent Yb(2)K4Yb8 cuboctahedra, corners with eight equivalent K(1)Yb12 cuboctahedra, edges with eight equivalent Yb(2)K4Yb8 cuboctahedra, edges with sixteen equivalent Yb(1)K4Yb8 cuboctahedra, faces with four equivalent Yb(2)K4Yb8 cuboctahedra, faces with six equivalent K(1)Yb12 cuboctahedra, and faces with eight equivalent Yb(1)K4Yb8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KYb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.074
_cell_length_b   7.074
_cell_length_c   7.074
_cell_angle_alpha   132.523
_cell_angle_beta   132.523
_cell_angle_gamma   69.404
_symmetry_Int_Tables_number   1
_cell_volume   188.648
_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  0.000  0.000  0.000  1.0
  Yb  Yb1  1  0.750  0.250  0.500  1.0
  Yb  Yb2  1  0.250  0.750  0.500  1.0
  Yb  Yb3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by KYb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent Yb(2) and eight equivalent Yb(1) atoms to form KYb12 cuboctahedra that share corners with four equivalent K(1)Yb12 cuboctahedra, corners with eight equivalent Yb(2)K4Yb8 cuboctahedra, edges with eight equivalent K(1)Yb12 cuboctahedra, edges with sixteen equivalent Yb(1)K4Yb8 cuboctahedra, faces with four equivalent K(1)Yb12 cuboctahedra, faces with six equivalent Yb(2)K4Yb8 cuboctahedra, and faces with eight equivalent Yb(1)K4Yb8 cuboctahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to four equivalent K(1), four equivalent Yb(1), and four equivalent Yb(2) atoms to form YbK4Yb8 cuboctahedra that share corners with twelve equivalent Yb(1)K4Yb8 cuboctahedra, edges with eight equivalent K(1)Yb12 cuboctahedra, edges with eight equivalent Yb(1)K4Yb8 cuboctahedra, edges with eight equivalent Yb(2)K4Yb8 cuboctahedra, faces with four equivalent K(1)Yb12 cuboctahedra, faces with four equivalent Yb(2)K4Yb8 cuboctahedra, and faces with ten equivalent Yb(1)K4Yb8 cuboctahedra. In the second Yb site, Yb(2) is bonded to four equivalent K(1) and eight equivalent Yb(1) atoms to form YbK4Yb8 cuboctahedra that share corners with four equivalent Yb(2)K4Yb8 cuboctahedra, corners with eight equivalent K(1)Yb12 cuboctahedra, edges with eight equivalent Yb(2)K4Yb8 cuboctahedra, edges with sixteen equivalent Yb(1)K4Yb8 cuboctahedra, faces with four equivalent Yb(2)K4Yb8 cuboctahedra, faces with six equivalent K(1)Yb12 cuboctahedra, and faces with eight equivalent Yb(1)K4Yb8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KYb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.074
_cell_length_b   7.074
_cell_length_c   7.074
_cell_angle_alpha   132.523
_cell_angle_beta   132.523
_cell_angle_gamma   69.404
_symmetry_Int_Tables_number   1
_cell_volume   188.648
_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  0.000  0.000  0.000  1.0
  Yb  Yb1  1  0.750  0.250  0.500  1.0
  Yb  Yb2  1  0.250  0.750  0.500  1.0
  Yb  Yb3  1  0.500  0.500  0.000  1.0
[/CIF]
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