The structure described by K2MoCuBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent Br(1) atoms to form KBr12 cuboctahedra that share corners with twelve equivalent K(1)Br12 cuboctahedra, faces with six equivalent K(1)Br12 cuboctahedra, faces with four equivalent Mo(1)Br6 octahedra, and faces with four equivalent Cu(1)Br6 octahedra. Mo(1) is bonded to six equivalent Br(1) atoms to form MoBr6 octahedra that share corners with six equivalent Cu(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded to six equivalent Br(1) atoms to form CuBr6 octahedra that share corners with six equivalent Mo(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to four equivalent K(1), one Mo(1), and one Cu(1) atom to form a mixture of distorted edge, corner, and face-sharing BrK4CuMo octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2CuMoBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.492
_cell_length_b   7.492
_cell_length_c   7.492
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   297.404
_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
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  Br  Br4  1  0.752  0.248  0.248  1.0
  Br  Br5  1  0.248  0.248  0.752  1.0
  Br  Br6  1  0.248  0.752  0.752  1.0
  Br  Br7  1  0.248  0.752  0.248  1.0
  Br  Br8  1  0.752  0.248  0.752  1.0
  Br  Br9  1  0.752  0.752  0.248  1.0
[/CIF]
.
The structure described by K2MoCuBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent Br(1) atoms to form KBr12 cuboctahedra that share corners with twelve equivalent K(1)Br12 cuboctahedra, faces with six equivalent K(1)Br12 cuboctahedra, faces with four equivalent Mo(1)Br6 octahedra, and faces with four equivalent Cu(1)Br6 octahedra. Mo(1) is bonded to six equivalent Br(1) atoms to form MoBr6 octahedra that share corners with six equivalent Cu(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded to six equivalent Br(1) atoms to form CuBr6 octahedra that share corners with six equivalent Mo(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to four equivalent K(1), one Mo(1), and one Cu(1) atom to form a mixture of distorted edge, corner, and face-sharing BrK4CuMo octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2CuMoBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.492
_cell_length_b   7.492
_cell_length_c   7.492
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   297.404
_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
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  Br  Br4  1  0.752  0.248  0.248  1.0
  Br  Br5  1  0.248  0.248  0.752  1.0
  Br  Br6  1  0.248  0.752  0.752  1.0
  Br  Br7  1  0.248  0.752  0.248  1.0
  Br  Br8  1  0.752  0.248  0.752  1.0
  Br  Br9  1  0.752  0.752  0.248  1.0
[/CIF]
.