The structure described by KLi6TaO6 crystallizes in the trigonal R-3m space group. K(1) is bonded in a 24-coordinate geometry to twelve equivalent Li(1) and twelve equivalent O(1) atoms. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1) and four equivalent O(1) atoms. Ta(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to two equivalent K(1), four equivalent Li(1), and one Ta(1) atom. is represented by the CIF card [CIF]
data_KLi6TaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   5.382
_cell_length_c   5.382
_cell_angle_alpha   101.195
_cell_angle_beta   101.195
_cell_angle_gamma   101.195
_symmetry_Int_Tables_number   1
_cell_volume   145.560
_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
  Li  Li1  1  0.000  0.343  0.657  1.0
  Li  Li2  1  0.657  0.000  0.343  1.0
  Li  Li3  1  0.657  0.343  0.000  1.0
  Li  Li4  1  0.343  0.000  0.657  1.0
  Li  Li5  1  0.000  0.657  0.343  1.0
  Li  Li6  1  0.343  0.657  0.000  1.0
  Ta  Ta7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.917  0.271  0.271  1.0
  O  O9  1  0.271  0.271  0.917  1.0
  O  O10  1  0.083  0.729  0.729  1.0
  O  O11  1  0.729  0.729  0.083  1.0
  O  O12  1  0.729  0.083  0.729  1.0
  O  O13  1  0.271  0.917  0.271  1.0
[/CIF]
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The structure described by KLi6TaO6 crystallizes in the trigonal R-3m space group. K(1) is bonded in a 24-coordinate geometry to twelve equivalent Li(1) and twelve equivalent O(1) atoms. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1) and four equivalent O(1) atoms. Ta(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to two equivalent K(1), four equivalent Li(1), and one Ta(1) atom. is represented by the CIF card [CIF]
data_KLi6TaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   5.382
_cell_length_c   5.382
_cell_angle_alpha   101.195
_cell_angle_beta   101.195
_cell_angle_gamma   101.195
_symmetry_Int_Tables_number   1
_cell_volume   145.560
_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
  Li  Li1  1  0.000  0.343  0.657  1.0
  Li  Li2  1  0.657  0.000  0.343  1.0
  Li  Li3  1  0.657  0.343  0.000  1.0
  Li  Li4  1  0.343  0.000  0.657  1.0
  Li  Li5  1  0.000  0.657  0.343  1.0
  Li  Li6  1  0.343  0.657  0.000  1.0
  Ta  Ta7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.917  0.271  0.271  1.0
  O  O9  1  0.271  0.271  0.917  1.0
  O  O10  1  0.083  0.729  0.729  1.0
  O  O11  1  0.729  0.729  0.083  1.0
  O  O12  1  0.729  0.083  0.729  1.0
  O  O13  1  0.271  0.917  0.271  1.0
[/CIF]
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