The structure described by Cs3Mo2(O2F)3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded to six equivalent O(1) and six equivalent F(1) atoms to form distorted corner-sharing CsO6F6 cuboctahedra. Mo(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent F(1) atoms. O(1) is bonded in a single-bond geometry to one Cs(2), three equivalent Cs(1), and one Mo(1) atom. F(1) is bonded in a distorted water-like geometry to two equivalent Cs(2) and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_Cs3Mo2(O2F)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.518
_cell_length_b   6.518
_cell_length_c   15.786
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   580.879
_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  0.667  0.333  0.941  1.0
  Cs  Cs1  1  0.333  0.667  0.059  1.0
  Cs  Cs2  1  0.333  0.667  0.441  1.0
  Cs  Cs3  1  0.667  0.333  0.250  1.0
  Cs  Cs4  1  0.667  0.333  0.559  1.0
  Cs  Cs5  1  0.333  0.667  0.750  1.0
  Mo  Mo6  1  0.000  0.000  0.857  1.0
  Mo  Mo7  1  0.000  0.000  0.357  1.0
  Mo  Mo8  1  0.000  0.000  0.643  1.0
  Mo  Mo9  1  0.000  0.000  0.143  1.0
  O  O10  1  0.856  0.144  0.098  1.0
  O  O11  1  0.713  0.856  0.598  1.0
  O  O12  1  0.144  0.287  0.902  1.0
  O  O13  1  0.856  0.713  0.098  1.0
  O  O14  1  0.144  0.856  0.598  1.0
  O  O15  1  0.287  0.144  0.098  1.0
  O  O16  1  0.287  0.144  0.402  1.0
  O  O17  1  0.144  0.856  0.902  1.0
  O  O18  1  0.856  0.713  0.402  1.0
  O  O19  1  0.713  0.856  0.902  1.0
  O  O20  1  0.144  0.287  0.598  1.0
  O  O21  1  0.856  0.144  0.402  1.0
  F  F22  1  0.744  0.872  0.250  1.0
  F  F23  1  0.128  0.872  0.250  1.0
  F  F24  1  0.128  0.256  0.250  1.0
  F  F25  1  0.872  0.744  0.750  1.0
  F  F26  1  0.872  0.128  0.750  1.0
  F  F27  1  0.256  0.128  0.750  1.0
[/CIF]
.
The structure described by Cs3Mo2(O2F)3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded to six equivalent O(1) and six equivalent F(1) atoms to form distorted corner-sharing CsO6F6 cuboctahedra. Mo(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent F(1) atoms. O(1) is bonded in a single-bond geometry to one Cs(2), three equivalent Cs(1), and one Mo(1) atom. F(1) is bonded in a distorted water-like geometry to two equivalent Cs(2) and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_Cs3Mo2(O2F)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.518
_cell_length_b   6.518
_cell_length_c   15.786
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   580.879
_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  0.667  0.333  0.941  1.0
  Cs  Cs1  1  0.333  0.667  0.059  1.0
  Cs  Cs2  1  0.333  0.667  0.441  1.0
  Cs  Cs3  1  0.667  0.333  0.250  1.0
  Cs  Cs4  1  0.667  0.333  0.559  1.0
  Cs  Cs5  1  0.333  0.667  0.750  1.0
  Mo  Mo6  1  0.000  0.000  0.857  1.0
  Mo  Mo7  1  0.000  0.000  0.357  1.0
  Mo  Mo8  1  0.000  0.000  0.643  1.0
  Mo  Mo9  1  0.000  0.000  0.143  1.0
  O  O10  1  0.856  0.144  0.098  1.0
  O  O11  1  0.713  0.856  0.598  1.0
  O  O12  1  0.144  0.287  0.902  1.0
  O  O13  1  0.856  0.713  0.098  1.0
  O  O14  1  0.144  0.856  0.598  1.0
  O  O15  1  0.287  0.144  0.098  1.0
  O  O16  1  0.287  0.144  0.402  1.0
  O  O17  1  0.144  0.856  0.902  1.0
  O  O18  1  0.856  0.713  0.402  1.0
  O  O19  1  0.713  0.856  0.902  1.0
  O  O20  1  0.144  0.287  0.598  1.0
  O  O21  1  0.856  0.144  0.402  1.0
  F  F22  1  0.744  0.872  0.250  1.0
  F  F23  1  0.128  0.872  0.250  1.0
  F  F24  1  0.128  0.256  0.250  1.0
  F  F25  1  0.872  0.744  0.750  1.0
  F  F26  1  0.872  0.128  0.750  1.0
  F  F27  1  0.256  0.128  0.750  1.0
[/CIF]
.