The material structure described by K9Li3O13I2 crystallizes in the hexagonal P-62c space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) 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. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a trigonal planar geometry to three equivalent K(3) atoms. In the second O site, O(1) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(1), one Li(1), and one I(1) atom. In the third O site, O(2) is bonded in a 6-coordinate geometry to one K(1), one K(2), two equivalent K(3), one Li(1), and one I(1) atom. I(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K9Li3I2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.529
_cell_length_b   9.529
_cell_length_c   11.753
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   924.289
_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  0.550  0.898  0.250  1.0
  K  K1  1  0.450  0.348  0.750  1.0
  K  K2  1  0.652  0.102  0.750  1.0
  K  K3  1  0.780  0.000  0.000  1.0
  K  K4  1  0.898  0.550  0.750  1.0
  K  K5  1  0.000  0.780  0.000  1.0
  K  K6  1  0.375  0.107  0.250  1.0
  K  K7  1  0.348  0.450  0.250  1.0
  K  K8  1  0.780  0.000  0.500  1.0
  K  K9  1  0.733  0.625  0.250  1.0
  K  K10  1  0.893  0.267  0.250  1.0
  K  K11  1  0.102  0.652  0.250  1.0
  K  K12  1  0.625  0.733  0.750  1.0
  K  K13  1  0.000  0.780  0.500  1.0
  K  K14  1  0.267  0.893  0.750  1.0
  K  K15  1  0.107  0.375  0.750  1.0
  K  K16  1  0.220  0.220  0.500  1.0
  K  K17  1  0.220  0.220  0.000  1.0
  Li  Li18  1  0.540  0.540  0.000  1.0
  Li  Li19  1  0.460  0.000  0.000  1.0
  Li  Li20  1  0.540  0.540  0.500  1.0
  Li  Li21  1  0.000  0.460  0.500  1.0
  Li  Li22  1  0.460  0.000  0.500  1.0
  Li  Li23  1  0.000  0.460  0.000  1.0
  I  I24  1  0.333  0.667  0.990  1.0
  I  I25  1  0.667  0.333  0.010  1.0
  I  I26  1  0.667  0.333  0.490  1.0
  I  I27  1  0.333  0.667  0.510  1.0
  O  O28  1  0.302  0.816  0.084  1.0
  O  O29  1  0.486  0.184  0.916  1.0
  O  O30  1  0.184  0.486  0.416  1.0
  O  O31  1  0.152  0.632  0.601  1.0
  O  O32  1  0.480  0.848  0.899  1.0
  O  O33  1  0.520  0.368  0.101  1.0
  O  O34  1  0.816  0.302  0.584  1.0
  O  O35  1  0.368  0.520  0.601  1.0
  O  O36  1  0.698  0.514  0.916  1.0
  O  O37  1  0.302  0.816  0.416  1.0
  O  O38  1  0.184  0.486  0.084  1.0
  O  O39  1  0.520  0.368  0.399  1.0
  O  O40  1  0.848  0.480  0.101  1.0
  O  O41  1  0.486  0.184  0.584  1.0
  O  O42  1  0.152  0.632  0.899  1.0
  O  O43  1  0.632  0.152  0.101  1.0
  O  O44  1  0.368  0.520  0.899  1.0
  O  O45  1  0.514  0.698  0.416  1.0
  O  O46  1  0.000  0.000  0.250  1.0
  O  O47  1  0.480  0.848  0.601  1.0
  O  O48  1  0.698  0.514  0.584  1.0
  O  O49  1  0.816  0.302  0.916  1.0
  O  O50  1  0.514  0.698  0.084  1.0
  O  O51  1  0.632  0.152  0.399  1.0
  O  O52  1  0.000  0.000  0.750  1.0
  O  O53  1  0.848  0.480  0.399  1.0
[/CIF]
.
The material structure described by K9Li3O13I2 crystallizes in the hexagonal P-62c space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) 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. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a trigonal planar geometry to three equivalent K(3) atoms. In the second O site, O(1) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(1), one Li(1), and one I(1) atom. In the third O site, O(2) is bonded in a 6-coordinate geometry to one K(1), one K(2), two equivalent K(3), one Li(1), and one I(1) atom. I(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K9Li3I2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.529
_cell_length_b   9.529
_cell_length_c   11.753
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   924.289
_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  0.550  0.898  0.250  1.0
  K  K1  1  0.450  0.348  0.750  1.0
  K  K2  1  0.652  0.102  0.750  1.0
  K  K3  1  0.780  0.000  0.000  1.0
  K  K4  1  0.898  0.550  0.750  1.0
  K  K5  1  0.000  0.780  0.000  1.0
  K  K6  1  0.375  0.107  0.250  1.0
  K  K7  1  0.348  0.450  0.250  1.0
  K  K8  1  0.780  0.000  0.500  1.0
  K  K9  1  0.733  0.625  0.250  1.0
  K  K10  1  0.893  0.267  0.250  1.0
  K  K11  1  0.102  0.652  0.250  1.0
  K  K12  1  0.625  0.733  0.750  1.0
  K  K13  1  0.000  0.780  0.500  1.0
  K  K14  1  0.267  0.893  0.750  1.0
  K  K15  1  0.107  0.375  0.750  1.0
  K  K16  1  0.220  0.220  0.500  1.0
  K  K17  1  0.220  0.220  0.000  1.0
  Li  Li18  1  0.540  0.540  0.000  1.0
  Li  Li19  1  0.460  0.000  0.000  1.0
  Li  Li20  1  0.540  0.540  0.500  1.0
  Li  Li21  1  0.000  0.460  0.500  1.0
  Li  Li22  1  0.460  0.000  0.500  1.0
  Li  Li23  1  0.000  0.460  0.000  1.0
  I  I24  1  0.333  0.667  0.990  1.0
  I  I25  1  0.667  0.333  0.010  1.0
  I  I26  1  0.667  0.333  0.490  1.0
  I  I27  1  0.333  0.667  0.510  1.0
  O  O28  1  0.302  0.816  0.084  1.0
  O  O29  1  0.486  0.184  0.916  1.0
  O  O30  1  0.184  0.486  0.416  1.0
  O  O31  1  0.152  0.632  0.601  1.0
  O  O32  1  0.480  0.848  0.899  1.0
  O  O33  1  0.520  0.368  0.101  1.0
  O  O34  1  0.816  0.302  0.584  1.0
  O  O35  1  0.368  0.520  0.601  1.0
  O  O36  1  0.698  0.514  0.916  1.0
  O  O37  1  0.302  0.816  0.416  1.0
  O  O38  1  0.184  0.486  0.084  1.0
  O  O39  1  0.520  0.368  0.399  1.0
  O  O40  1  0.848  0.480  0.101  1.0
  O  O41  1  0.486  0.184  0.584  1.0
  O  O42  1  0.152  0.632  0.899  1.0
  O  O43  1  0.632  0.152  0.101  1.0
  O  O44  1  0.368  0.520  0.899  1.0
  O  O45  1  0.514  0.698  0.416  1.0
  O  O46  1  0.000  0.000  0.250  1.0
  O  O47  1  0.480  0.848  0.601  1.0
  O  O48  1  0.698  0.514  0.584  1.0
  O  O49  1  0.816  0.302  0.916  1.0
  O  O50  1  0.514  0.698  0.084  1.0
  O  O51  1  0.632  0.152  0.399  1.0
  O  O52  1  0.000  0.000  0.750  1.0
  O  O53  1  0.848  0.480  0.399  1.0
[/CIF]
.