The structure described by Li4OsH6 crystallizes in the trigonal R-3c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to six equivalent H(1) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to six equivalent H(1) atoms. Os(1) is bonded in an octahedral geometry to six equivalent H(1) atoms. H(1) is bonded to one Li(1), three equivalent Li(2), and one Os(1) atom to form a mixture of distorted face and corner-sharing HLi4Os square pyramids. is represented by the CIF card [CIF]
data_Li4H6Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.803
_cell_length_b   5.803
_cell_length_c   5.803
_cell_angle_alpha   89.785
_cell_angle_beta   89.785
_cell_angle_gamma   89.785
_symmetry_Int_Tables_number   1
_cell_volume   195.445
_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
  Li  Li0  1  0.250  0.250  0.250  1.0
  Li  Li1  1  0.750  0.750  0.750  1.0
  Li  Li2  1  0.842  0.658  0.250  1.0
  Li  Li3  1  0.250  0.842  0.658  1.0
  Li  Li4  1  0.658  0.250  0.842  1.0
  Li  Li5  1  0.750  0.158  0.342  1.0
  Li  Li6  1  0.342  0.750  0.158  1.0
  Li  Li7  1  0.158  0.342  0.750  1.0
  H  H8  1  0.211  0.543  0.450  1.0
  H  H9  1  0.450  0.211  0.543  1.0
  H  H10  1  0.543  0.450  0.211  1.0
  H  H11  1  0.950  0.043  0.711  1.0
  H  H12  1  0.711  0.950  0.043  1.0
  H  H13  1  0.043  0.711  0.950  1.0
  H  H14  1  0.789  0.457  0.550  1.0
  H  H15  1  0.550  0.789  0.457  1.0
  H  H16  1  0.457  0.550  0.789  1.0
  H  H17  1  0.050  0.957  0.289  1.0
  H  H18  1  0.289  0.050  0.957  1.0
  H  H19  1  0.957  0.289  0.050  1.0
  Os  Os20  1  0.500  0.500  0.500  1.0
  Os  Os21  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Li4OsH6 crystallizes in the trigonal R-3c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to six equivalent H(1) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to six equivalent H(1) atoms. Os(1) is bonded in an octahedral geometry to six equivalent H(1) atoms. H(1) is bonded to one Li(1), three equivalent Li(2), and one Os(1) atom to form a mixture of distorted face and corner-sharing HLi4Os square pyramids. is represented by the CIF card [CIF]
data_Li4H6Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.803
_cell_length_b   5.803
_cell_length_c   5.803
_cell_angle_alpha   89.785
_cell_angle_beta   89.785
_cell_angle_gamma   89.785
_symmetry_Int_Tables_number   1
_cell_volume   195.445
_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
  Li  Li0  1  0.250  0.250  0.250  1.0
  Li  Li1  1  0.750  0.750  0.750  1.0
  Li  Li2  1  0.842  0.658  0.250  1.0
  Li  Li3  1  0.250  0.842  0.658  1.0
  Li  Li4  1  0.658  0.250  0.842  1.0
  Li  Li5  1  0.750  0.158  0.342  1.0
  Li  Li6  1  0.342  0.750  0.158  1.0
  Li  Li7  1  0.158  0.342  0.750  1.0
  H  H8  1  0.211  0.543  0.450  1.0
  H  H9  1  0.450  0.211  0.543  1.0
  H  H10  1  0.543  0.450  0.211  1.0
  H  H11  1  0.950  0.043  0.711  1.0
  H  H12  1  0.711  0.950  0.043  1.0
  H  H13  1  0.043  0.711  0.950  1.0
  H  H14  1  0.789  0.457  0.550  1.0
  H  H15  1  0.550  0.789  0.457  1.0
  H  H16  1  0.457  0.550  0.789  1.0
  H  H17  1  0.050  0.957  0.289  1.0
  H  H18  1  0.289  0.050  0.957  1.0
  H  H19  1  0.957  0.289  0.050  1.0
  Os  Os20  1  0.500  0.500  0.500  1.0
  Os  Os21  1  0.000  0.000  0.000  1.0
[/CIF]
.