The material structure described by K3Li3TeO6 crystallizes in the orthorhombic Pnma space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), and four equivalent O(1) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. Te(1) is bonded in an octahedral geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded to one K(1), one K(2), two equivalent Li(2), and one Te(1) atom to form distorted corner-sharing OK2Li2Te trigonal bipyramids. In the second O site, O(1) is bonded in a 7-coordinate geometry to one K(1), one K(3), two equivalent K(2), one Li(1), one Li(2), and one Te(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent K(3), one Li(1), one Li(2), and one Te(1) atom. In the fourth O site, O(3) is bonded to one K(2), one K(3), two equivalent Li(2), and one Te(1) atom to form distorted corner-sharing OK2Li2Te trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Li3TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.074
_cell_length_b   9.834
_cell_length_c   11.858
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   708.253
_cell_formula_units_Z   4
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  0.750  0.707  0.006  1.0
  K  K1  1  0.750  0.793  0.506  1.0
  K  K2  1  0.750  0.041  0.962  1.0
  K  K3  1  0.750  0.459  0.462  1.0
  K  K4  1  0.250  0.872  0.472  1.0
  K  K5  1  0.250  0.207  0.494  1.0
  K  K6  1  0.250  0.628  0.972  1.0
  K  K7  1  0.750  0.372  0.028  1.0
  K  K8  1  0.750  0.128  0.528  1.0
  K  K9  1  0.250  0.541  0.538  1.0
  K  K10  1  0.250  0.959  0.038  1.0
  K  K11  1  0.250  0.293  0.994  1.0
  Li  Li12  1  0.250  0.091  0.251  1.0
  Li  Li13  1  0.506  0.836  0.257  1.0
  Li  Li14  1  0.250  0.409  0.751  1.0
  Li  Li15  1  0.494  0.164  0.743  1.0
  Li  Li16  1  0.994  0.664  0.757  1.0
  Li  Li17  1  0.506  0.664  0.757  1.0
  Li  Li18  1  0.494  0.336  0.243  1.0
  Li  Li19  1  0.006  0.336  0.243  1.0
  Li  Li20  1  0.750  0.909  0.749  1.0
  Li  Li21  1  0.994  0.836  0.257  1.0
  Li  Li22  1  0.750  0.591  0.249  1.0
  Li  Li23  1  0.006  0.164  0.743  1.0
  Te  Te24  1  0.250  0.913  0.756  1.0
  Te  Te25  1  0.750  0.087  0.244  1.0
  Te  Te26  1  0.250  0.587  0.256  1.0
  Te  Te27  1  0.750  0.413  0.744  1.0
  O  O28  1  0.512  0.161  0.147  1.0
  O  O29  1  0.988  0.161  0.147  1.0
  O  O30  1  0.486  0.515  0.158  1.0
  O  O31  1  0.250  0.738  0.676  1.0
  O  O32  1  0.250  0.091  0.836  1.0
  O  O33  1  0.250  0.762  0.176  1.0
  O  O34  1  0.986  0.015  0.342  1.0
  O  O35  1  0.750  0.591  0.664  1.0
  O  O36  1  0.514  0.485  0.842  1.0
  O  O37  1  0.986  0.485  0.842  1.0
  O  O38  1  0.750  0.238  0.824  1.0
  O  O39  1  0.486  0.985  0.658  1.0
  O  O40  1  0.988  0.339  0.647  1.0
  O  O41  1  0.514  0.015  0.342  1.0
  O  O42  1  0.012  0.661  0.353  1.0
  O  O43  1  0.250  0.409  0.336  1.0
  O  O44  1  0.488  0.661  0.353  1.0
  O  O45  1  0.750  0.262  0.324  1.0
  O  O46  1  0.488  0.839  0.853  1.0
  O  O47  1  0.750  0.909  0.164  1.0
  O  O48  1  0.012  0.839  0.853  1.0
  O  O49  1  0.014  0.515  0.158  1.0
  O  O50  1  0.014  0.985  0.658  1.0
  O  O51  1  0.512  0.339  0.647  1.0
[/CIF]
.
The material structure described by K3Li3TeO6 crystallizes in the orthorhombic Pnma space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), and four equivalent O(1) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. Te(1) is bonded in an octahedral geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded to one K(1), one K(2), two equivalent Li(2), and one Te(1) atom to form distorted corner-sharing OK2Li2Te trigonal bipyramids. In the second O site, O(1) is bonded in a 7-coordinate geometry to one K(1), one K(3), two equivalent K(2), one Li(1), one Li(2), and one Te(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent K(3), one Li(1), one Li(2), and one Te(1) atom. In the fourth O site, O(3) is bonded to one K(2), one K(3), two equivalent Li(2), and one Te(1) atom to form distorted corner-sharing OK2Li2Te trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Li3TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.074
_cell_length_b   9.834
_cell_length_c   11.858
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   708.253
_cell_formula_units_Z   4
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  0.750  0.707  0.006  1.0
  K  K1  1  0.750  0.793  0.506  1.0
  K  K2  1  0.750  0.041  0.962  1.0
  K  K3  1  0.750  0.459  0.462  1.0
  K  K4  1  0.250  0.872  0.472  1.0
  K  K5  1  0.250  0.207  0.494  1.0
  K  K6  1  0.250  0.628  0.972  1.0
  K  K7  1  0.750  0.372  0.028  1.0
  K  K8  1  0.750  0.128  0.528  1.0
  K  K9  1  0.250  0.541  0.538  1.0
  K  K10  1  0.250  0.959  0.038  1.0
  K  K11  1  0.250  0.293  0.994  1.0
  Li  Li12  1  0.250  0.091  0.251  1.0
  Li  Li13  1  0.506  0.836  0.257  1.0
  Li  Li14  1  0.250  0.409  0.751  1.0
  Li  Li15  1  0.494  0.164  0.743  1.0
  Li  Li16  1  0.994  0.664  0.757  1.0
  Li  Li17  1  0.506  0.664  0.757  1.0
  Li  Li18  1  0.494  0.336  0.243  1.0
  Li  Li19  1  0.006  0.336  0.243  1.0
  Li  Li20  1  0.750  0.909  0.749  1.0
  Li  Li21  1  0.994  0.836  0.257  1.0
  Li  Li22  1  0.750  0.591  0.249  1.0
  Li  Li23  1  0.006  0.164  0.743  1.0
  Te  Te24  1  0.250  0.913  0.756  1.0
  Te  Te25  1  0.750  0.087  0.244  1.0
  Te  Te26  1  0.250  0.587  0.256  1.0
  Te  Te27  1  0.750  0.413  0.744  1.0
  O  O28  1  0.512  0.161  0.147  1.0
  O  O29  1  0.988  0.161  0.147  1.0
  O  O30  1  0.486  0.515  0.158  1.0
  O  O31  1  0.250  0.738  0.676  1.0
  O  O32  1  0.250  0.091  0.836  1.0
  O  O33  1  0.250  0.762  0.176  1.0
  O  O34  1  0.986  0.015  0.342  1.0
  O  O35  1  0.750  0.591  0.664  1.0
  O  O36  1  0.514  0.485  0.842  1.0
  O  O37  1  0.986  0.485  0.842  1.0
  O  O38  1  0.750  0.238  0.824  1.0
  O  O39  1  0.486  0.985  0.658  1.0
  O  O40  1  0.988  0.339  0.647  1.0
  O  O41  1  0.514  0.015  0.342  1.0
  O  O42  1  0.012  0.661  0.353  1.0
  O  O43  1  0.250  0.409  0.336  1.0
  O  O44  1  0.488  0.661  0.353  1.0
  O  O45  1  0.750  0.262  0.324  1.0
  O  O46  1  0.488  0.839  0.853  1.0
  O  O47  1  0.750  0.909  0.164  1.0
  O  O48  1  0.012  0.839  0.853  1.0
  O  O49  1  0.014  0.515  0.158  1.0
  O  O50  1  0.014  0.985  0.658  1.0
  O  O51  1  0.512  0.339  0.647  1.0
[/CIF]
.