The crystal structure described by MoCuF6 crystallizes in the trigonal R-3 space group. Mo(1) is bonded to six equivalent F(1) atoms to form MoF6 octahedra that share corners with six equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles are 43°. Cu(1) is bonded to six equivalent F(1) atoms to form CuF6 octahedra that share corners with six equivalent Mo(1)F6 octahedra. The corner-sharing octahedral tilt angles are 43°. F(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_CuMoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.427
_cell_length_b   5.427
_cell_length_c   5.427
_cell_angle_alpha   55.413
_cell_angle_beta   55.413
_cell_angle_gamma   55.413
_symmetry_Int_Tables_number   1
_cell_volume   100.970
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.400  0.114  0.745  1.0
  F  F3  1  0.600  0.886  0.255  1.0
  F  F4  1  0.886  0.255  0.600  1.0
  F  F5  1  0.114  0.745  0.400  1.0
  F  F6  1  0.745  0.400  0.114  1.0
  F  F7  1  0.255  0.600  0.886  1.0
[/CIF]
.
The crystal structure described by MoCuF6 crystallizes in the trigonal R-3 space group. Mo(1) is bonded to six equivalent F(1) atoms to form MoF6 octahedra that share corners with six equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles are 43°. Cu(1) is bonded to six equivalent F(1) atoms to form CuF6 octahedra that share corners with six equivalent Mo(1)F6 octahedra. The corner-sharing octahedral tilt angles are 43°. F(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_CuMoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.427
_cell_length_b   5.427
_cell_length_c   5.427
_cell_angle_alpha   55.413
_cell_angle_beta   55.413
_cell_angle_gamma   55.413
_symmetry_Int_Tables_number   1
_cell_volume   100.970
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.400  0.114  0.745  1.0
  F  F3  1  0.600  0.886  0.255  1.0
  F  F4  1  0.886  0.255  0.600  1.0
  F  F5  1  0.114  0.745  0.400  1.0
  F  F6  1  0.745  0.400  0.114  1.0
  F  F7  1  0.255  0.600  0.886  1.0
[/CIF]
.