The material structure described by CsOs2O6 crystallizes in the cubic Fd-3m space group. Cs(1) is bonded to six equivalent O(1) atoms to form CsO6 octahedra that share corners with twelve equivalent Os(1)O6 octahedra. The corner-sharing octahedral tilt angles are 70°. Os(1) is bonded to six equivalent O(1) atoms to form OsO6 octahedra that share corners with six equivalent Cs(1)O6 octahedra and corners with six equivalent Os(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-70°. O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Os(1) atoms. is represented by the CIF card [CIF]
data_Cs(OsO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.206
_cell_length_b   7.206
_cell_length_c   7.206
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   264.567
_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  0.375  0.375  0.375  1.0
  Cs  Cs1  1  0.625  0.625  0.625  1.0
  Os  Os2  1  0.500  0.000  0.000  1.0
  Os  Os3  1  0.000  0.000  0.500  1.0
  Os  Os4  1  0.000  0.500  0.000  1.0
  Os  Os5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.314  0.314  0.936  1.0
  O  O7  1  0.064  0.064  0.686  1.0
  O  O8  1  0.936  0.314  0.314  1.0
  O  O9  1  0.936  0.936  0.314  1.0
  O  O10  1  0.686  0.064  0.686  1.0
  O  O11  1  0.064  0.686  0.686  1.0
  O  O12  1  0.686  0.064  0.064  1.0
  O  O13  1  0.686  0.686  0.064  1.0
  O  O14  1  0.314  0.936  0.314  1.0
  O  O15  1  0.936  0.314  0.936  1.0
  O  O16  1  0.064  0.686  0.064  1.0
  O  O17  1  0.314  0.936  0.936  1.0
[/CIF]
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The material structure described by CsOs2O6 crystallizes in the cubic Fd-3m space group. Cs(1) is bonded to six equivalent O(1) atoms to form CsO6 octahedra that share corners with twelve equivalent Os(1)O6 octahedra. The corner-sharing octahedral tilt angles are 70°. Os(1) is bonded to six equivalent O(1) atoms to form OsO6 octahedra that share corners with six equivalent Cs(1)O6 octahedra and corners with six equivalent Os(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-70°. O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Os(1) atoms. is represented by the CIF card [CIF]
data_Cs(OsO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.206
_cell_length_b   7.206
_cell_length_c   7.206
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   264.567
_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  0.375  0.375  0.375  1.0
  Cs  Cs1  1  0.625  0.625  0.625  1.0
  Os  Os2  1  0.500  0.000  0.000  1.0
  Os  Os3  1  0.000  0.000  0.500  1.0
  Os  Os4  1  0.000  0.500  0.000  1.0
  Os  Os5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.314  0.314  0.936  1.0
  O  O7  1  0.064  0.064  0.686  1.0
  O  O8  1  0.936  0.314  0.314  1.0
  O  O9  1  0.936  0.936  0.314  1.0
  O  O10  1  0.686  0.064  0.686  1.0
  O  O11  1  0.064  0.686  0.686  1.0
  O  O12  1  0.686  0.064  0.064  1.0
  O  O13  1  0.686  0.686  0.064  1.0
  O  O14  1  0.314  0.936  0.314  1.0
  O  O15  1  0.936  0.314  0.936  1.0
  O  O16  1  0.064  0.686  0.064  1.0
  O  O17  1  0.314  0.936  0.936  1.0
[/CIF]
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