The structure described by KLi(WO3)6 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 9-coordinate geometry to one O(12), one O(2), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(9) atoms. Li(1) is bonded in a 4-coordinate geometry to one O(11), one O(12), and two equivalent O(1) atoms. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-31°. In the second W site, W(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-33°. In the third W site, W(3) is bonded to one O(6), one O(7), two equivalent O(4), and two equivalent O(9) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 3-31°. In the fourth W site, W(4) is bonded to one O(6), one O(7), two equivalent O(5), and two equivalent O(8) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 3-29°. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a T-shaped geometry to one K(1), one Li(1), and two equivalent W(1) atoms. In the second O site, O(1) is bonded in a T-shaped geometry to one Li(1), one W(1), and one W(2) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one K(1) and two equivalent W(2) atoms. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one K(1) and two equivalent W(1) atoms. In the fifth 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 sixth O site, O(5) is bonded in a bent 150 degrees geometry to one K(1), one W(2), and one W(4) atom. In the seventh O site, O(6) is bonded in a linear geometry to one W(3) and one W(4) atom. In the eighth O site, O(7) is bonded in a linear geometry to one W(3) and one W(4) atom. In the ninth O site, O(8) is bonded in a bent 150 degrees geometry to one W(2) and one W(4) atom. In the tenth O site, O(9) is bonded in a bent 150 degrees geometry to one K(1), one W(1), and one W(3) atom. In the eleventh O site, O(10) is bonded in a linear geometry to one W(1) and one W(2) atom. In the twelfth O site, O(11) is bonded in a T-shaped geometry to one Li(1) and two equivalent W(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLi(WO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.534
_cell_length_b   7.534
_cell_length_c   7.770
_cell_angle_alpha   89.989
_cell_angle_beta   89.989
_cell_angle_gamma   60.289
_symmetry_Int_Tables_number   1
_cell_volume   383.013
_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  0.733  1.0
  Li  Li1  1  0.296  0.296  0.249  1.0
  W  W2  1  0.508  0.996  0.502  1.0
  W  W3  1  0.498  0.995  0.997  1.0
  W  W4  1  0.499  0.499  0.500  1.0
  W  W5  1  0.499  0.499  1.000  1.0
  W  W6  1  0.995  0.498  0.997  1.0
  W  W7  1  0.996  0.508  0.502  1.0
  O  O8  1  0.505  0.993  0.250  1.0
  O  O9  1  0.788  0.788  0.990  1.0
  O  O10  1  0.789  0.789  0.510  1.0
  O  O11  1  0.425  0.789  0.509  1.0
  O  O12  1  0.993  0.505  0.250  1.0
  O  O13  1  0.425  0.785  0.991  1.0
  O  O14  1  0.785  0.425  0.991  1.0
  O  O15  1  0.789  0.425  0.509  1.0
  O  O16  1  0.503  0.503  0.250  1.0
  O  O17  1  0.494  0.494  0.750  1.0
  O  O18  1  0.215  0.572  0.006  1.0
  O  O19  1  0.211  0.573  0.494  1.0
  O  O20  1  0.573  0.211  0.494  1.0
  O  O21  1  0.010  0.494  0.750  1.0
  O  O22  1  0.572  0.215  0.006  1.0
  O  O23  1  0.216  0.216  0.011  1.0
  O  O24  1  0.216  0.216  0.489  1.0
  O  O25  1  0.494  0.010  0.750  1.0
[/CIF]
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The structure described by KLi(WO3)6 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 9-coordinate geometry to one O(12), one O(2), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(9) atoms. Li(1) is bonded in a 4-coordinate geometry to one O(11), one O(12), and two equivalent O(1) atoms. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-31°. In the second W site, W(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-33°. In the third W site, W(3) is bonded to one O(6), one O(7), two equivalent O(4), and two equivalent O(9) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 3-31°. In the fourth W site, W(4) is bonded to one O(6), one O(7), two equivalent O(5), and two equivalent O(8) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 3-29°. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a T-shaped geometry to one K(1), one Li(1), and two equivalent W(1) atoms. In the second O site, O(1) is bonded in a T-shaped geometry to one Li(1), one W(1), and one W(2) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one K(1) and two equivalent W(2) atoms. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one K(1) and two equivalent W(1) atoms. In the fifth 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 sixth O site, O(5) is bonded in a bent 150 degrees geometry to one K(1), one W(2), and one W(4) atom. In the seventh O site, O(6) is bonded in a linear geometry to one W(3) and one W(4) atom. In the eighth O site, O(7) is bonded in a linear geometry to one W(3) and one W(4) atom. In the ninth O site, O(8) is bonded in a bent 150 degrees geometry to one W(2) and one W(4) atom. In the tenth O site, O(9) is bonded in a bent 150 degrees geometry to one K(1), one W(1), and one W(3) atom. In the eleventh O site, O(10) is bonded in a linear geometry to one W(1) and one W(2) atom. In the twelfth O site, O(11) is bonded in a T-shaped geometry to one Li(1) and two equivalent W(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLi(WO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.534
_cell_length_b   7.534
_cell_length_c   7.770
_cell_angle_alpha   89.989
_cell_angle_beta   89.989
_cell_angle_gamma   60.289
_symmetry_Int_Tables_number   1
_cell_volume   383.013
_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  0.733  1.0
  Li  Li1  1  0.296  0.296  0.249  1.0
  W  W2  1  0.508  0.996  0.502  1.0
  W  W3  1  0.498  0.995  0.997  1.0
  W  W4  1  0.499  0.499  0.500  1.0
  W  W5  1  0.499  0.499  1.000  1.0
  W  W6  1  0.995  0.498  0.997  1.0
  W  W7  1  0.996  0.508  0.502  1.0
  O  O8  1  0.505  0.993  0.250  1.0
  O  O9  1  0.788  0.788  0.990  1.0
  O  O10  1  0.789  0.789  0.510  1.0
  O  O11  1  0.425  0.789  0.509  1.0
  O  O12  1  0.993  0.505  0.250  1.0
  O  O13  1  0.425  0.785  0.991  1.0
  O  O14  1  0.785  0.425  0.991  1.0
  O  O15  1  0.789  0.425  0.509  1.0
  O  O16  1  0.503  0.503  0.250  1.0
  O  O17  1  0.494  0.494  0.750  1.0
  O  O18  1  0.215  0.572  0.006  1.0
  O  O19  1  0.211  0.573  0.494  1.0
  O  O20  1  0.573  0.211  0.494  1.0
  O  O21  1  0.010  0.494  0.750  1.0
  O  O22  1  0.572  0.215  0.006  1.0
  O  O23  1  0.216  0.216  0.011  1.0
  O  O24  1  0.216  0.216  0.489  1.0
  O  O25  1  0.494  0.010  0.750  1.0
[/CIF]
.