The crystal structure described by CsMoO2F3 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent F(2) atoms. Mo(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted corner-sharing MoO2F4 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMoO2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.599
_cell_length_b   6.398
_cell_length_c   8.270
_cell_angle_alpha   112.758
_cell_angle_beta   109.788
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.130
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.369  0.119  0.738  1.0
  Cs  Cs1  1  0.631  0.881  0.262  1.0
  Mo  Mo2  1  0.866  0.616  0.732  1.0
  Mo  Mo3  1  0.134  0.384  0.268  1.0
  O  O4  1  0.705  0.691  0.881  1.0
  O  O5  1  0.824  0.309  0.119  1.0
  O  O6  1  0.295  0.309  0.119  1.0
  O  O7  1  0.176  0.691  0.881  1.0
  F  F8  1  0.500  0.500  0.500  1.0
  F  F9  1  0.000  0.500  0.500  1.0
  F  F10  1  0.834  0.875  0.668  1.0
  F  F11  1  0.166  0.125  0.332  1.0
  F  F12  1  0.166  0.707  0.332  1.0
  F  F13  1  0.834  0.293  0.668  1.0
[/CIF]
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The crystal structure described by CsMoO2F3 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent F(2) atoms. Mo(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted corner-sharing MoO2F4 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMoO2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.599
_cell_length_b   6.398
_cell_length_c   8.270
_cell_angle_alpha   112.758
_cell_angle_beta   109.788
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.130
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.369  0.119  0.738  1.0
  Cs  Cs1  1  0.631  0.881  0.262  1.0
  Mo  Mo2  1  0.866  0.616  0.732  1.0
  Mo  Mo3  1  0.134  0.384  0.268  1.0
  O  O4  1  0.705  0.691  0.881  1.0
  O  O5  1  0.824  0.309  0.119  1.0
  O  O6  1  0.295  0.309  0.119  1.0
  O  O7  1  0.176  0.691  0.881  1.0
  F  F8  1  0.500  0.500  0.500  1.0
  F  F9  1  0.000  0.500  0.500  1.0
  F  F10  1  0.834  0.875  0.668  1.0
  F  F11  1  0.166  0.125  0.332  1.0
  F  F12  1  0.166  0.707  0.332  1.0
  F  F13  1  0.834  0.293  0.668  1.0
[/CIF]
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