The material structure described by KKLiLa4O7 crystallizes in the trigonal P3 space group. The structure consists of one 7440-09-7 atom inside a KLiLa4O7 framework. In the KLiLa4O7 framework, K(2) is bonded in a 3-coordinate geometry to three equivalent O(2) atoms. Li(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. There are four inequivalent La sites. In the first La site, La(1) is bonded to one O(3) and three equivalent O(1) atoms to form LaO4 tetrahedra that share corners with three equivalent La(3)O6 octahedra, corners with three equivalent La(4)O6 octahedra, and  a cornercorner with one La(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the second La site, La(2) is bonded to one O(3) and three equivalent O(2) atoms to form LaO4 tetrahedra that share corners with three equivalent La(3)O6 octahedra, corners with three equivalent La(4)O6 octahedra, and  a cornercorner with one La(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the third La site, La(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LaO6 octahedra that share corners with three equivalent La(1)O4 tetrahedra, corners with three equivalent La(2)O4 tetrahedra, and edges with three equivalent La(4)O6 octahedra. In the fourth La site, La(4) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LaO6 octahedra that share corners with three equivalent La(1)O4 tetrahedra, corners with three equivalent La(2)O4 tetrahedra, and edges with three equivalent La(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one La(1), one La(3), and one La(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(2), one La(2), one La(3), and one La(4) atom. In the third O site, O(3) is bonded in a linear geometry to one La(1) and one La(2) atom. is represented by the CIF card [CIF]
data_K2LiLa4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.193
_cell_length_b   6.193
_cell_length_c   8.891
_cell_angle_alpha   89.994
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   295.308
_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  0.333  0.666  0.997  1.0
  K  K1  1  0.666  0.333  0.896  1.0
  Li  Li2  1  0.667  0.333  0.244  1.0
  La  La3  1  0.000  0.000  0.258  1.0
  La  La4  1  1.000  1.000  0.748  1.0
  La  La5  1  0.333  0.667  0.495  1.0
  La  La6  1  0.667  0.333  0.535  1.0
  O  O7  1  0.974  0.629  0.351  1.0
  O  O8  1  0.009  0.361  0.669  1.0
  O  O9  1  0.000  0.000  0.002  1.0
  O  O10  1  0.371  0.345  0.351  1.0
  O  O11  1  0.638  0.648  0.669  1.0
  O  O12  1  0.352  0.991  0.669  1.0
  O  O13  1  0.655  0.026  0.351  1.0
[/CIF]
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The material structure described by KKLiLa4O7 crystallizes in the trigonal P3 space group. The structure consists of one 7440-09-7 atom inside a KLiLa4O7 framework. In the KLiLa4O7 framework, K(2) is bonded in a 3-coordinate geometry to three equivalent O(2) atoms. Li(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. There are four inequivalent La sites. In the first La site, La(1) is bonded to one O(3) and three equivalent O(1) atoms to form LaO4 tetrahedra that share corners with three equivalent La(3)O6 octahedra, corners with three equivalent La(4)O6 octahedra, and  a cornercorner with one La(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the second La site, La(2) is bonded to one O(3) and three equivalent O(2) atoms to form LaO4 tetrahedra that share corners with three equivalent La(3)O6 octahedra, corners with three equivalent La(4)O6 octahedra, and  a cornercorner with one La(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the third La site, La(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LaO6 octahedra that share corners with three equivalent La(1)O4 tetrahedra, corners with three equivalent La(2)O4 tetrahedra, and edges with three equivalent La(4)O6 octahedra. In the fourth La site, La(4) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LaO6 octahedra that share corners with three equivalent La(1)O4 tetrahedra, corners with three equivalent La(2)O4 tetrahedra, and edges with three equivalent La(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one La(1), one La(3), and one La(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(2), one La(2), one La(3), and one La(4) atom. In the third O site, O(3) is bonded in a linear geometry to one La(1) and one La(2) atom. is represented by the CIF card [CIF]
data_K2LiLa4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.193
_cell_length_b   6.193
_cell_length_c   8.891
_cell_angle_alpha   89.994
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   295.308
_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  0.333  0.666  0.997  1.0
  K  K1  1  0.666  0.333  0.896  1.0
  Li  Li2  1  0.667  0.333  0.244  1.0
  La  La3  1  0.000  0.000  0.258  1.0
  La  La4  1  1.000  1.000  0.748  1.0
  La  La5  1  0.333  0.667  0.495  1.0
  La  La6  1  0.667  0.333  0.535  1.0
  O  O7  1  0.974  0.629  0.351  1.0
  O  O8  1  0.009  0.361  0.669  1.0
  O  O9  1  0.000  0.000  0.002  1.0
  O  O10  1  0.371  0.345  0.351  1.0
  O  O11  1  0.638  0.648  0.669  1.0
  O  O12  1  0.352  0.991  0.669  1.0
  O  O13  1  0.655  0.026  0.351  1.0
[/CIF]
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