The compound described by Na4RuH6 crystallizes in the trigonal R-3c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to six equivalent H(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to six equivalent H(1) atoms. Ru(1) is bonded in an octahedral geometry to six equivalent H(1) atoms. H(1) is bonded to one Na(1), three equivalent Na(2), and one Ru(1) atom to form a mixture of distorted face and corner-sharing HNa4Ru square pyramids. is represented by the CIF card [CIF]
data_Na4H6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.443
_cell_length_b   6.443
_cell_length_c   6.443
_cell_angle_alpha   89.286
_cell_angle_beta   89.286
_cell_angle_gamma   89.286
_symmetry_Int_Tables_number   1
_cell_volume   267.364
_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
  Na  Na0  1  0.250  0.250  0.250  1.0
  Na  Na1  1  0.750  0.750  0.750  1.0
  Na  Na2  1  0.866  0.634  0.250  1.0
  Na  Na3  1  0.250  0.866  0.634  1.0
  Na  Na4  1  0.634  0.250  0.866  1.0
  Na  Na5  1  0.750  0.134  0.366  1.0
  Na  Na6  1  0.366  0.750  0.134  1.0
  Na  Na7  1  0.134  0.366  0.750  1.0
  H  H8  1  0.240  0.550  0.444  1.0
  H  H9  1  0.444  0.240  0.550  1.0
  H  H10  1  0.550  0.444  0.240  1.0
  H  H11  1  0.944  0.050  0.740  1.0
  H  H12  1  0.740  0.944  0.050  1.0
  H  H13  1  0.050  0.740  0.944  1.0
  H  H14  1  0.760  0.450  0.556  1.0
  H  H15  1  0.556  0.760  0.450  1.0
  H  H16  1  0.450  0.556  0.760  1.0
  H  H17  1  0.056  0.950  0.260  1.0
  H  H18  1  0.260  0.056  0.950  1.0
  H  H19  1  0.950  0.260  0.056  1.0
  Ru  Ru20  1  0.500  0.500  0.500  1.0
  Ru  Ru21  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Na4RuH6 crystallizes in the trigonal R-3c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to six equivalent H(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to six equivalent H(1) atoms. Ru(1) is bonded in an octahedral geometry to six equivalent H(1) atoms. H(1) is bonded to one Na(1), three equivalent Na(2), and one Ru(1) atom to form a mixture of distorted face and corner-sharing HNa4Ru square pyramids. is represented by the CIF card [CIF]
data_Na4H6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.443
_cell_length_b   6.443
_cell_length_c   6.443
_cell_angle_alpha   89.286
_cell_angle_beta   89.286
_cell_angle_gamma   89.286
_symmetry_Int_Tables_number   1
_cell_volume   267.364
_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
  Na  Na0  1  0.250  0.250  0.250  1.0
  Na  Na1  1  0.750  0.750  0.750  1.0
  Na  Na2  1  0.866  0.634  0.250  1.0
  Na  Na3  1  0.250  0.866  0.634  1.0
  Na  Na4  1  0.634  0.250  0.866  1.0
  Na  Na5  1  0.750  0.134  0.366  1.0
  Na  Na6  1  0.366  0.750  0.134  1.0
  Na  Na7  1  0.134  0.366  0.750  1.0
  H  H8  1  0.240  0.550  0.444  1.0
  H  H9  1  0.444  0.240  0.550  1.0
  H  H10  1  0.550  0.444  0.240  1.0
  H  H11  1  0.944  0.050  0.740  1.0
  H  H12  1  0.740  0.944  0.050  1.0
  H  H13  1  0.050  0.740  0.944  1.0
  H  H14  1  0.760  0.450  0.556  1.0
  H  H15  1  0.556  0.760  0.450  1.0
  H  H16  1  0.450  0.556  0.760  1.0
  H  H17  1  0.056  0.950  0.260  1.0
  H  H18  1  0.260  0.056  0.950  1.0
  H  H19  1  0.950  0.260  0.056  1.0
  Ru  Ru20  1  0.500  0.500  0.500  1.0
  Ru  Ru21  1  0.000  0.000  0.000  1.0
[/CIF]
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