The structure described by Ba2OsH6 crystallizes in the cubic Fm-3m space group. Ba(1) is bonded to twelve equivalent H(1) atoms to form BaH12 cuboctahedra that share corners with twelve equivalent Ba(1)H12 cuboctahedra, faces with six equivalent Ba(1)H12 cuboctahedra, and faces with four equivalent Os(1)H6 octahedra. Os(1) is bonded to six equivalent H(1) atoms to form OsH6 octahedra that share faces with eight equivalent Ba(1)H12 cuboctahedra. H(1) is bonded to four equivalent Ba(1) and one Os(1) atom to form a mixture of corner, edge, and face-sharing HBa4Os square pyramids. is represented by the CIF card [CIF]
data_Ba2H6Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   5.722
_cell_length_c   5.722
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   132.487
_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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  H  H2  1  0.214  0.786  0.786  1.0
  H  H3  1  0.214  0.214  0.786  1.0
  H  H4  1  0.214  0.786  0.214  1.0
  H  H5  1  0.786  0.214  0.214  1.0
  H  H6  1  0.786  0.786  0.214  1.0
  H  H7  1  0.786  0.214  0.786  1.0
  Os  Os8  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Ba2OsH6 crystallizes in the cubic Fm-3m space group. Ba(1) is bonded to twelve equivalent H(1) atoms to form BaH12 cuboctahedra that share corners with twelve equivalent Ba(1)H12 cuboctahedra, faces with six equivalent Ba(1)H12 cuboctahedra, and faces with four equivalent Os(1)H6 octahedra. Os(1) is bonded to six equivalent H(1) atoms to form OsH6 octahedra that share faces with eight equivalent Ba(1)H12 cuboctahedra. H(1) is bonded to four equivalent Ba(1) and one Os(1) atom to form a mixture of corner, edge, and face-sharing HBa4Os square pyramids. is represented by the CIF card [CIF]
data_Ba2H6Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   5.722
_cell_length_c   5.722
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   132.487
_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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  H  H2  1  0.214  0.786  0.786  1.0
  H  H3  1  0.214  0.214  0.786  1.0
  H  H4  1  0.214  0.786  0.214  1.0
  H  H5  1  0.786  0.214  0.214  1.0
  H  H6  1  0.786  0.786  0.214  1.0
  H  H7  1  0.786  0.214  0.786  1.0
  Os  Os8  1  0.000  0.000  0.000  1.0
[/CIF]
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