The material described by (K)2NaMoI6 crystallizes in the cubic Fm-3m space group. The structure consists of eight 7440-09-7 atoms inside a NaMoI6 framework. In the NaMoI6 framework, Na(1) is bonded to six equivalent I(1) atoms to form NaI6 octahedra that share corners with six equivalent Mo(1)I6 octahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to six equivalent I(1) atoms to form MoI6 octahedra that share corners with six equivalent Na(1)I6 octahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a linear geometry to one Na(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_K2NaMoI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.408
_cell_length_b   8.408
_cell_length_c   8.408
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   420.238
_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  0.750  0.750  0.750  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  I  I4  1  0.763  0.237  0.237  1.0
  I  I5  1  0.237  0.237  0.763  1.0
  I  I6  1  0.237  0.763  0.763  1.0
  I  I7  1  0.237  0.763  0.237  1.0
  I  I8  1  0.763  0.237  0.763  1.0
  I  I9  1  0.763  0.763  0.237  1.0
[/CIF]
.
The material described by (K)2NaMoI6 crystallizes in the cubic Fm-3m space group. The structure consists of eight 7440-09-7 atoms inside a NaMoI6 framework. In the NaMoI6 framework, Na(1) is bonded to six equivalent I(1) atoms to form NaI6 octahedra that share corners with six equivalent Mo(1)I6 octahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to six equivalent I(1) atoms to form MoI6 octahedra that share corners with six equivalent Na(1)I6 octahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a linear geometry to one Na(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_K2NaMoI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.408
_cell_length_b   8.408
_cell_length_c   8.408
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   420.238
_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  0.750  0.750  0.750  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  I  I4  1  0.763  0.237  0.237  1.0
  I  I5  1  0.237  0.237  0.763  1.0
  I  I6  1  0.237  0.763  0.763  1.0
  I  I7  1  0.237  0.763  0.237  1.0
  I  I8  1  0.763  0.237  0.763  1.0
  I  I9  1  0.763  0.763  0.237  1.0
[/CIF]
.