The material 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 4-coordinate geometry to one O(11), one O(15), one O(16), and one O(2) 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 1-32°. 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 1-31°. 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 1-31°. 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 1-31°. 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 1-31°. 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 1-32°. 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 bent 150 degrees geometry to one K(1), 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 W(2) and one W(4) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to 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 T-shaped 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 W(3), and one W(6) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to 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 Li(2), one W(1), and one W(6) atom. In the eighteenth O site, O(18) is bonded in a distorted 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   7.583
_cell_length_b   7.649
_cell_length_c   7.919
_cell_angle_alpha   90.237
_cell_angle_beta   89.843
_cell_angle_gamma   120.080
_symmetry_Int_Tables_number   1
_cell_volume   397.438
_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  0.008  0.004  0.269  1.0
  K  K1  1  0.003  0.996  0.768  1.0
  Li  Li2  1  0.407  0.701  0.250  1.0
  Li  Li3  1  0.701  0.303  0.749  1.0
  W  W4  1  0.005  0.502  0.498  1.0
  W  W5  1  0.005  0.503  0.002  1.0
  W  W6  1  0.503  0.498  0.502  1.0
  W  W7  1  0.501  0.496  0.998  1.0
  W  W8  1  0.499  1.000  0.000  1.0
  W  W9  1  0.498  1.000  0.500  1.0
  O  O10  1  0.002  0.502  0.750  1.0
  O  O11  1  0.212  0.792  0.006  1.0
  O  O12  1  0.216  0.795  0.493  1.0
  O  O13  1  0.214  0.423  0.496  1.0
  O  O14  1  0.500  0.997  0.746  1.0
  O  O15  1  0.217  0.423  0.004  1.0
  O  O16  1  0.574  0.782  0.013  1.0
  O  O17  1  0.574  0.791  0.487  1.0
  O  O18  1  0.504  0.503  0.754  1.0
  O  O19  1  0.500  0.496  0.246  1.0
  O  O20  1  0.420  0.214  0.991  1.0
  O  O21  1  0.420  0.204  0.508  1.0
  O  O22  1  0.789  0.577  0.504  1.0
  O  O23  1  0.501  0.003  0.254  1.0
  O  O24  1  0.784  0.576  0.995  1.0
  O  O25  1  0.785  0.213  0.988  1.0
  O  O26  1  0.782  0.209  0.511  1.0
  O  O27  1  0.002  0.499  0.250  1.0
[/CIF]
.
The material 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 4-coordinate geometry to one O(11), one O(15), one O(16), and one O(2) 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 1-32°. 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 1-31°. 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 1-31°. 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 1-31°. 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 1-31°. 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 1-32°. 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 bent 150 degrees geometry to one K(1), 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 W(2) and one W(4) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to 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 T-shaped 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 W(3), and one W(6) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to 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 Li(2), one W(1), and one W(6) atom. In the eighteenth O site, O(18) is bonded in a distorted 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   7.583
_cell_length_b   7.649
_cell_length_c   7.919
_cell_angle_alpha   90.237
_cell_angle_beta   89.843
_cell_angle_gamma   120.080
_symmetry_Int_Tables_number   1
_cell_volume   397.438
_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  0.008  0.004  0.269  1.0
  K  K1  1  0.003  0.996  0.768  1.0
  Li  Li2  1  0.407  0.701  0.250  1.0
  Li  Li3  1  0.701  0.303  0.749  1.0
  W  W4  1  0.005  0.502  0.498  1.0
  W  W5  1  0.005  0.503  0.002  1.0
  W  W6  1  0.503  0.498  0.502  1.0
  W  W7  1  0.501  0.496  0.998  1.0
  W  W8  1  0.499  1.000  0.000  1.0
  W  W9  1  0.498  1.000  0.500  1.0
  O  O10  1  0.002  0.502  0.750  1.0
  O  O11  1  0.212  0.792  0.006  1.0
  O  O12  1  0.216  0.795  0.493  1.0
  O  O13  1  0.214  0.423  0.496  1.0
  O  O14  1  0.500  0.997  0.746  1.0
  O  O15  1  0.217  0.423  0.004  1.0
  O  O16  1  0.574  0.782  0.013  1.0
  O  O17  1  0.574  0.791  0.487  1.0
  O  O18  1  0.504  0.503  0.754  1.0
  O  O19  1  0.500  0.496  0.246  1.0
  O  O20  1  0.420  0.214  0.991  1.0
  O  O21  1  0.420  0.204  0.508  1.0
  O  O22  1  0.789  0.577  0.504  1.0
  O  O23  1  0.501  0.003  0.254  1.0
  O  O24  1  0.784  0.576  0.995  1.0
  O  O25  1  0.785  0.213  0.988  1.0
  O  O26  1  0.782  0.209  0.511  1.0
  O  O27  1  0.002  0.499  0.250  1.0
[/CIF]
.