The structure described by KLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent La(2) and eight equivalent La(1) atoms to form KLa12 cuboctahedra that share corners with four equivalent K(1)La12 cuboctahedra, corners with eight equivalent La(2)K4La8 cuboctahedra, edges with eight equivalent K(1)La12 cuboctahedra, edges with sixteen equivalent La(1)K4La8 cuboctahedra, faces with four equivalent K(1)La12 cuboctahedra, faces with six equivalent La(2)K4La8 cuboctahedra, and faces with eight equivalent La(1)K4La8 cuboctahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent K(1), four equivalent La(1), and four equivalent La(2) atoms to form LaK4La8 cuboctahedra that share corners with twelve equivalent La(1)K4La8 cuboctahedra, edges with eight equivalent K(1)La12 cuboctahedra, edges with eight equivalent La(1)K4La8 cuboctahedra, edges with eight equivalent La(2)K4La8 cuboctahedra, faces with four equivalent K(1)La12 cuboctahedra, faces with four equivalent La(2)K4La8 cuboctahedra, and faces with ten equivalent La(1)K4La8 cuboctahedra. In the second La site, La(2) is bonded to four equivalent K(1) and eight equivalent La(1) atoms to form LaK4La8 cuboctahedra that share corners with four equivalent La(2)K4La8 cuboctahedra, corners with eight equivalent K(1)La12 cuboctahedra, edges with eight equivalent La(2)K4La8 cuboctahedra, edges with sixteen equivalent La(1)K4La8 cuboctahedra, faces with four equivalent La(2)K4La8 cuboctahedra, faces with six equivalent K(1)La12 cuboctahedra, and faces with eight equivalent La(1)K4La8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.715
_cell_length_b   6.715
_cell_length_c   6.715
_cell_angle_alpha   132.291
_cell_angle_beta   132.291
_cell_angle_gamma   69.769
_symmetry_Int_Tables_number   1
_cell_volume   162.521
_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
  La  La1  1  0.750  0.250  0.500  1.0
  La  La2  1  0.250  0.750  0.500  1.0
  La  La3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by KLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent La(2) and eight equivalent La(1) atoms to form KLa12 cuboctahedra that share corners with four equivalent K(1)La12 cuboctahedra, corners with eight equivalent La(2)K4La8 cuboctahedra, edges with eight equivalent K(1)La12 cuboctahedra, edges with sixteen equivalent La(1)K4La8 cuboctahedra, faces with four equivalent K(1)La12 cuboctahedra, faces with six equivalent La(2)K4La8 cuboctahedra, and faces with eight equivalent La(1)K4La8 cuboctahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent K(1), four equivalent La(1), and four equivalent La(2) atoms to form LaK4La8 cuboctahedra that share corners with twelve equivalent La(1)K4La8 cuboctahedra, edges with eight equivalent K(1)La12 cuboctahedra, edges with eight equivalent La(1)K4La8 cuboctahedra, edges with eight equivalent La(2)K4La8 cuboctahedra, faces with four equivalent K(1)La12 cuboctahedra, faces with four equivalent La(2)K4La8 cuboctahedra, and faces with ten equivalent La(1)K4La8 cuboctahedra. In the second La site, La(2) is bonded to four equivalent K(1) and eight equivalent La(1) atoms to form LaK4La8 cuboctahedra that share corners with four equivalent La(2)K4La8 cuboctahedra, corners with eight equivalent K(1)La12 cuboctahedra, edges with eight equivalent La(2)K4La8 cuboctahedra, edges with sixteen equivalent La(1)K4La8 cuboctahedra, faces with four equivalent La(2)K4La8 cuboctahedra, faces with six equivalent K(1)La12 cuboctahedra, and faces with eight equivalent La(1)K4La8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.715
_cell_length_b   6.715
_cell_length_c   6.715
_cell_angle_alpha   132.291
_cell_angle_beta   132.291
_cell_angle_gamma   69.769
_symmetry_Int_Tables_number   1
_cell_volume   162.521
_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
  La  La1  1  0.750  0.250  0.500  1.0
  La  La2  1  0.250  0.750  0.500  1.0
  La  La3  1  0.500  0.500  0.000  1.0
[/CIF]
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