The compound described by LiK(WO3)4 crystallizes in the tetragonal P4/mmm space group. The structure consists of one 7439-93-2 atom inside a K(WO3)4 framework. In the K(WO3)4 framework, K(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra and faces with eight equivalent W(1)O6 octahedra. W(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with two equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent K(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_KLi(WO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.540
_cell_length_b   5.540
_cell_length_c   7.837
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.559
_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
  Li  Li1  1  0.500  0.500  0.500  1.0
  W  W2  1  0.000  0.500  0.749  1.0
  W  W3  1  0.000  0.500  0.251  1.0
  W  W4  1  0.500  0.000  0.251  1.0
  W  W5  1  0.500  0.000  0.749  1.0
  O  O6  1  0.253  0.253  0.254  1.0
  O  O7  1  0.253  0.253  0.746  1.0
  O  O8  1  0.747  0.747  0.746  1.0
  O  O9  1  0.747  0.747  0.254  1.0
  O  O10  1  0.747  0.253  0.746  1.0
  O  O11  1  0.747  0.253  0.254  1.0
  O  O12  1  0.253  0.747  0.746  1.0
  O  O13  1  0.253  0.747  0.254  1.0
  O  O14  1  0.000  0.500  0.500  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.500  0.000  0.500  1.0
  O  O17  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by LiK(WO3)4 crystallizes in the tetragonal P4/mmm space group. The structure consists of one 7439-93-2 atom inside a K(WO3)4 framework. In the K(WO3)4 framework, K(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra and faces with eight equivalent W(1)O6 octahedra. W(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with two equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent K(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_KLi(WO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.540
_cell_length_b   5.540
_cell_length_c   7.837
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.559
_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
  Li  Li1  1  0.500  0.500  0.500  1.0
  W  W2  1  0.000  0.500  0.749  1.0
  W  W3  1  0.000  0.500  0.251  1.0
  W  W4  1  0.500  0.000  0.251  1.0
  W  W5  1  0.500  0.000  0.749  1.0
  O  O6  1  0.253  0.253  0.254  1.0
  O  O7  1  0.253  0.253  0.746  1.0
  O  O8  1  0.747  0.747  0.746  1.0
  O  O9  1  0.747  0.747  0.254  1.0
  O  O10  1  0.747  0.253  0.746  1.0
  O  O11  1  0.747  0.253  0.254  1.0
  O  O12  1  0.253  0.747  0.746  1.0
  O  O13  1  0.253  0.747  0.254  1.0
  O  O14  1  0.000  0.500  0.500  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.500  0.000  0.500  1.0
  O  O17  1  0.500  0.000  0.000  1.0
[/CIF]
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