The compound described by MoCrF6 crystallizes in the triclinic P-1 space group. Mo(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MoF6 octahedra that share corners with six equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. Cr(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CrF6 octahedra that share corners with six equivalent Mo(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_CrMoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.626
_cell_length_b   5.627
_cell_length_c   5.643
_cell_angle_alpha   118.556
_cell_angle_beta   118.432
_cell_angle_gamma   90.236
_symmetry_Int_Tables_number   1
_cell_volume   131.642
_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
  Cr  Cr0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.500  0.500  0.000  1.0
  F  F2  1  0.340  0.258  0.535  1.0
  F  F3  1  0.660  0.742  0.465  1.0
  F  F4  1  0.822  0.738  0.061  1.0
  F  F5  1  0.178  0.262  0.939  1.0
  F  F6  1  0.746  0.255  0.077  1.0
  F  F7  1  0.254  0.745  0.923  1.0
[/CIF]
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The compound described by MoCrF6 crystallizes in the triclinic P-1 space group. Mo(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MoF6 octahedra that share corners with six equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. Cr(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CrF6 octahedra that share corners with six equivalent Mo(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_CrMoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.626
_cell_length_b   5.627
_cell_length_c   5.643
_cell_angle_alpha   118.556
_cell_angle_beta   118.432
_cell_angle_gamma   90.236
_symmetry_Int_Tables_number   1
_cell_volume   131.642
_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
  Cr  Cr0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.500  0.500  0.000  1.0
  F  F2  1  0.340  0.258  0.535  1.0
  F  F3  1  0.660  0.742  0.465  1.0
  F  F4  1  0.822  0.738  0.061  1.0
  F  F5  1  0.178  0.262  0.939  1.0
  F  F6  1  0.746  0.255  0.077  1.0
  F  F7  1  0.254  0.745  0.923  1.0
[/CIF]
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