The compound described by KLi(WO3)3 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one O(12), one O(3), one O(4), and one O(8) atom. In the second K site, K(2) is bonded in a 10-coordinate geometry to one O(11), one O(12), one O(13), one O(15), one O(16), one O(17), one O(2), one O(3), one O(6), and one O(7) atom. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(16), one O(17), and one O(5) atom. There are six inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(13), one O(17), one O(18), one O(3), and one O(4) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. In the second W site, W(2) is bonded to one O(1), one O(15), one O(16), one O(18), one O(2), and one O(6) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-31°. In the third W site, W(3) is bonded to one O(10), one O(12), one O(13), one O(4), one O(8), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. In the fourth W site, W(4) is bonded to one O(10), one O(11), one O(15), one O(6), one O(7), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. In the fifth W site, W(5) is bonded to one O(11), one O(14), one O(16), one O(2), one O(5), and one O(7) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-33°. In the sixth W site, W(6) is bonded to one O(12), one O(14), one O(17), one O(3), one O(5), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-33°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(2), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one K(2), one W(2), and one W(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1), one K(2), one W(1), and one W(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one K(1), one W(1), and one W(3) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(2), one W(5), and one W(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one K(2), one W(2), and one W(4) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one K(2), one Li(1), one W(4), and one W(5) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one K(1), one Li(1), one W(3), and one W(6) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one W(3) and one W(4) atom. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Li(1), one W(3), and one W(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one K(2), one W(4), and one W(5) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one K(1), one K(2), one W(3), and one W(6) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one K(2), one W(1), and one W(3) atom. In the fourteenth O site, O(14) is bonded in a T-shaped geometry to one Li(1), one W(5), and one W(6) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one K(2), one W(2), and one W(4) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one K(2), one Li(2), one W(2), and one W(5) atom. In the seventeenth O site, O(17) is bonded in a T-shaped geometry to one K(2), one Li(2), one W(1), and one W(6) atom. In the eighteenth O site, O(18) is bonded in a linear geometry to one W(1) and one W(2) atom. is represented by the CIF card [CIF]
data_KLi(WO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.626
_cell_length_b   7.628
_cell_length_c   7.885
_cell_angle_alpha   90.001
_cell_angle_beta   90.005
_cell_angle_gamma   119.733
_symmetry_Int_Tables_number   1
_cell_volume   398.301
_cell_formula_units_Z   2
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  0.994  0.997  0.269  1.0
  K  K1  1  0.997  0.003  0.767  1.0
  Li  Li2  1  0.591  0.299  0.251  1.0
  Li  Li3  1  0.296  0.698  0.749  1.0
  W  W4  1  0.995  0.497  0.498  1.0
  W  W5  1  0.995  0.496  0.002  1.0
  W  W6  1  0.497  0.503  0.502  1.0
  W  W7  1  0.499  0.503  0.998  1.0
  W  W8  1  0.500  0.999  1.000  1.0
  W  W9  1  0.501  0.000  0.500  1.0
  O  O10  1  0.995  0.496  0.750  1.0
  O  O11  1  0.796  0.216  0.008  1.0
  O  O12  1  0.798  0.216  0.492  1.0
  O  O13  1  0.793  0.577  0.493  1.0
  O  O14  1  0.499  0.003  0.743  1.0
  O  O15  1  0.797  0.580  0.006  1.0
  O  O16  1  0.424  0.204  0.017  1.0
  O  O17  1  0.424  0.221  0.483  1.0
  O  O18  1  0.498  0.495  0.757  1.0
  O  O19  1  0.499  0.504  0.242  1.0
  O  O20  1  0.584  0.801  0.990  1.0
  O  O21  1  0.584  0.785  0.509  1.0
  O  O22  1  0.204  0.423  0.507  1.0
  O  O23  1  0.499  0.997  0.258  1.0
  O  O24  1  0.201  0.421  0.994  1.0
  O  O25  1  0.207  0.780  0.984  1.0
  O  O26  1  0.204  0.780  0.514  1.0
  O  O27  1  0.002  0.504  0.250  1.0
[/CIF]
.
The compound described by KLi(WO3)3 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one O(12), one O(3), one O(4), and one O(8) atom. In the second K site, K(2) is bonded in a 10-coordinate geometry to one O(11), one O(12), one O(13), one O(15), one O(16), one O(17), one O(2), one O(3), one O(6), and one O(7) atom. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(16), one O(17), and one O(5) atom. There are six inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(13), one O(17), one O(18), one O(3), and one O(4) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. In the second W site, W(2) is bonded to one O(1), one O(15), one O(16), one O(18), one O(2), and one O(6) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-31°. In the third W site, W(3) is bonded to one O(10), one O(12), one O(13), one O(4), one O(8), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. In the fourth W site, W(4) is bonded to one O(10), one O(11), one O(15), one O(6), one O(7), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. In the fifth W site, W(5) is bonded to one O(11), one O(14), one O(16), one O(2), one O(5), and one O(7) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-33°. In the sixth W site, W(6) is bonded to one O(12), one O(14), one O(17), one O(3), one O(5), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-33°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(2), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one K(2), one W(2), and one W(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1), one K(2), one W(1), and one W(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one K(1), one W(1), and one W(3) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(2), one W(5), and one W(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one K(2), one W(2), and one W(4) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one K(2), one Li(1), one W(4), and one W(5) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one K(1), one Li(1), one W(3), and one W(6) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one W(3) and one W(4) atom. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Li(1), one W(3), and one W(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one K(2), one W(4), and one W(5) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one K(1), one K(2), one W(3), and one W(6) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one K(2), one W(1), and one W(3) atom. In the fourteenth O site, O(14) is bonded in a T-shaped geometry to one Li(1), one W(5), and one W(6) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one K(2), one W(2), and one W(4) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one K(2), one Li(2), one W(2), and one W(5) atom. In the seventeenth O site, O(17) is bonded in a T-shaped geometry to one K(2), one Li(2), one W(1), and one W(6) atom. In the eighteenth O site, O(18) is bonded in a linear geometry to one W(1) and one W(2) atom. is represented by the CIF card [CIF]
data_KLi(WO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.626
_cell_length_b   7.628
_cell_length_c   7.885
_cell_angle_alpha   90.001
_cell_angle_beta   90.005
_cell_angle_gamma   119.733
_symmetry_Int_Tables_number   1
_cell_volume   398.301
_cell_formula_units_Z   2
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  0.994  0.997  0.269  1.0
  K  K1  1  0.997  0.003  0.767  1.0
  Li  Li2  1  0.591  0.299  0.251  1.0
  Li  Li3  1  0.296  0.698  0.749  1.0
  W  W4  1  0.995  0.497  0.498  1.0
  W  W5  1  0.995  0.496  0.002  1.0
  W  W6  1  0.497  0.503  0.502  1.0
  W  W7  1  0.499  0.503  0.998  1.0
  W  W8  1  0.500  0.999  1.000  1.0
  W  W9  1  0.501  0.000  0.500  1.0
  O  O10  1  0.995  0.496  0.750  1.0
  O  O11  1  0.796  0.216  0.008  1.0
  O  O12  1  0.798  0.216  0.492  1.0
  O  O13  1  0.793  0.577  0.493  1.0
  O  O14  1  0.499  0.003  0.743  1.0
  O  O15  1  0.797  0.580  0.006  1.0
  O  O16  1  0.424  0.204  0.017  1.0
  O  O17  1  0.424  0.221  0.483  1.0
  O  O18  1  0.498  0.495  0.757  1.0
  O  O19  1  0.499  0.504  0.242  1.0
  O  O20  1  0.584  0.801  0.990  1.0
  O  O21  1  0.584  0.785  0.509  1.0
  O  O22  1  0.204  0.423  0.507  1.0
  O  O23  1  0.499  0.997  0.258  1.0
  O  O24  1  0.201  0.421  0.994  1.0
  O  O25  1  0.207  0.780  0.984  1.0
  O  O26  1  0.204  0.780  0.514  1.0
  O  O27  1  0.002  0.504  0.250  1.0
[/CIF]
.