The material structure described by K2MoAgI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent I(1) atoms to form KI12 cuboctahedra that share corners with twelve equivalent K(1)I12 cuboctahedra, faces with six equivalent K(1)I12 cuboctahedra, faces with four equivalent Mo(1)I6 octahedra, and faces with four equivalent Ag(1)I6 octahedra. Mo(1) is bonded to six equivalent I(1) atoms to form MoI6 octahedra that share corners with six equivalent Ag(1)I6 octahedra and faces with eight equivalent K(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. Ag(1) is bonded to six equivalent I(1) atoms to form AgI6 octahedra that share corners with six equivalent Mo(1)I6 octahedra and faces with eight equivalent K(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a linear geometry to four equivalent K(1), one Mo(1), and one Ag(1) atom. is represented by the CIF file [CIF]
data_K2AgMoI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.263
_cell_length_b   8.263
_cell_length_c   8.263
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   398.872
_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
  Ag  Ag2  1  0.500  0.500  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  I  I4  1  0.758  0.242  0.242  1.0
  I  I5  1  0.242  0.242  0.758  1.0
  I  I6  1  0.242  0.758  0.758  1.0
  I  I7  1  0.242  0.758  0.242  1.0
  I  I8  1  0.758  0.242  0.758  1.0
  I  I9  1  0.758  0.758  0.242  1.0
[/CIF]
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The material structure described by K2MoAgI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent I(1) atoms to form KI12 cuboctahedra that share corners with twelve equivalent K(1)I12 cuboctahedra, faces with six equivalent K(1)I12 cuboctahedra, faces with four equivalent Mo(1)I6 octahedra, and faces with four equivalent Ag(1)I6 octahedra. Mo(1) is bonded to six equivalent I(1) atoms to form MoI6 octahedra that share corners with six equivalent Ag(1)I6 octahedra and faces with eight equivalent K(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. Ag(1) is bonded to six equivalent I(1) atoms to form AgI6 octahedra that share corners with six equivalent Mo(1)I6 octahedra and faces with eight equivalent K(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a linear geometry to four equivalent K(1), one Mo(1), and one Ag(1) atom. is represented by the CIF file [CIF]
data_K2AgMoI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.263
_cell_length_b   8.263
_cell_length_c   8.263
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   398.872
_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
  Ag  Ag2  1  0.500  0.500  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  I  I4  1  0.758  0.242  0.242  1.0
  I  I5  1  0.242  0.242  0.758  1.0
  I  I6  1  0.242  0.758  0.758  1.0
  I  I7  1  0.242  0.758  0.242  1.0
  I  I8  1  0.758  0.242  0.758  1.0
  I  I9  1  0.758  0.758  0.242  1.0
[/CIF]
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