The structure described by Cs2OsBrClF4 crystallizes in the tetragonal I4mm space group. Cs(1) is bonded to two equivalent Br(1), two equivalent Cl(1), and eight equivalent F(1) atoms to form distorted CsBr2Cl2F8 cuboctahedra that share corners with twelve equivalent Cs(1)Br2Cl2F8 cuboctahedra, faces with six equivalent Cs(1)Br2Cl2F8 cuboctahedra, and faces with four equivalent Os(1)BrClF4 octahedra. Os(1) is bonded to one Br(1), one Cl(1), and four equivalent F(1) atoms to form distorted OsBrClF4 octahedra that share faces with eight equivalent Cs(1)Br2Cl2F8 cuboctahedra. Br(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Os(1) atom. Cl(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Os(1) atom. F(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Os(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2OsBrClF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.747
_cell_length_b   6.747
_cell_length_c   6.747
_cell_angle_alpha   114.717
_cell_angle_beta   114.717
_cell_angle_gamma   99.422
_symmetry_Int_Tables_number   1
_cell_volume   231.172
_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
  Cs  Cs0  1  0.749  0.249  0.500  1.0
  Cs  Cs1  1  0.249  0.749  0.500  1.0
  Os  Os2  1  1.000  1.000  0.000  1.0
  Br  Br3  1  0.287  0.287  0.000  1.0
  Cl  Cl4  1  0.730  0.730  0.000  1.0
  F  F5  1  0.807  0.807  0.617  1.0
  F  F6  1  0.190  0.190  0.383  1.0
  F  F7  1  0.190  0.807  0.000  1.0
  F  F8  1  0.807  0.190  0.000  1.0
[/CIF]
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The structure described by Cs2OsBrClF4 crystallizes in the tetragonal I4mm space group. Cs(1) is bonded to two equivalent Br(1), two equivalent Cl(1), and eight equivalent F(1) atoms to form distorted CsBr2Cl2F8 cuboctahedra that share corners with twelve equivalent Cs(1)Br2Cl2F8 cuboctahedra, faces with six equivalent Cs(1)Br2Cl2F8 cuboctahedra, and faces with four equivalent Os(1)BrClF4 octahedra. Os(1) is bonded to one Br(1), one Cl(1), and four equivalent F(1) atoms to form distorted OsBrClF4 octahedra that share faces with eight equivalent Cs(1)Br2Cl2F8 cuboctahedra. Br(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Os(1) atom. Cl(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Os(1) atom. F(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Os(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2OsBrClF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.747
_cell_length_b   6.747
_cell_length_c   6.747
_cell_angle_alpha   114.717
_cell_angle_beta   114.717
_cell_angle_gamma   99.422
_symmetry_Int_Tables_number   1
_cell_volume   231.172
_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
  Cs  Cs0  1  0.749  0.249  0.500  1.0
  Cs  Cs1  1  0.249  0.749  0.500  1.0
  Os  Os2  1  1.000  1.000  0.000  1.0
  Br  Br3  1  0.287  0.287  0.000  1.0
  Cl  Cl4  1  0.730  0.730  0.000  1.0
  F  F5  1  0.807  0.807  0.617  1.0
  F  F6  1  0.190  0.190  0.383  1.0
  F  F7  1  0.190  0.807  0.000  1.0
  F  F8  1  0.807  0.190  0.000  1.0
[/CIF]
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