The material described by KLiWO3 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 10-coordinate geometry to one Li(1), three equivalent O(2), and six equivalent O(1) atoms. Li(1) is bonded in a 3-coordinate geometry to one K(1), one O(2), and two equivalent O(1) atoms. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent K(1), one Li(1), and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent K(1), one Li(1), and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_KLiWO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.236
_cell_length_b   4.236
_cell_length_c   4.250
_cell_angle_alpha   95.429
_cell_angle_beta   95.429
_cell_angle_gamma   84.717
_symmetry_Int_Tables_number   1
_cell_volume   75.317
_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  0.429  0.429  0.567  1.0
  Li  Li1  1  0.723  0.723  0.274  1.0
  W  W2  1  0.029  0.029  0.970  1.0
  O  O3  1  0.521  0.009  0.989  1.0
  O  O4  1  0.009  0.521  0.989  1.0
  O  O5  1  0.007  0.007  0.477  1.0
[/CIF]
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The material described by KLiWO3 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 10-coordinate geometry to one Li(1), three equivalent O(2), and six equivalent O(1) atoms. Li(1) is bonded in a 3-coordinate geometry to one K(1), one O(2), and two equivalent O(1) atoms. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent K(1), one Li(1), and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent K(1), one Li(1), and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_KLiWO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.236
_cell_length_b   4.236
_cell_length_c   4.250
_cell_angle_alpha   95.429
_cell_angle_beta   95.429
_cell_angle_gamma   84.717
_symmetry_Int_Tables_number   1
_cell_volume   75.317
_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  0.429  0.429  0.567  1.0
  Li  Li1  1  0.723  0.723  0.274  1.0
  W  W2  1  0.029  0.029  0.970  1.0
  O  O3  1  0.521  0.009  0.989  1.0
  O  O4  1  0.009  0.521  0.989  1.0
  O  O5  1  0.007  0.007  0.477  1.0
[/CIF]
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