The compound described by Mg2RuH6 crystallizes in the cubic Fm-3m space group. Mg(1) is bonded to twelve equivalent H(1) atoms to form MgH12 cuboctahedra that share corners with twelve equivalent Mg(1)H12 cuboctahedra, faces with six equivalent Mg(1)H12 cuboctahedra, and faces with four equivalent Ru(1)H6 octahedra. Ru(1) is bonded to six equivalent H(1) atoms to form RuH6 octahedra that share faces with eight equivalent Mg(1)H12 cuboctahedra. H(1) is bonded to four equivalent Mg(1) and one Ru(1) atom to form a mixture of edge, corner, and face-sharing HMg4Ru square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2H6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.663
_cell_length_b   4.663
_cell_length_c   4.663
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   71.714
_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
  Mg  Mg0  1  0.750  0.750  0.750  1.0
  Mg  Mg1  1  0.250  0.250  0.250  1.0
  H  H2  1  0.253  0.747  0.747  1.0
  H  H3  1  0.253  0.253  0.747  1.0
  H  H4  1  0.253  0.747  0.253  1.0
  H  H5  1  0.747  0.253  0.253  1.0
  H  H6  1  0.747  0.747  0.253  1.0
  H  H7  1  0.747  0.253  0.747  1.0
  Ru  Ru8  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Mg2RuH6 crystallizes in the cubic Fm-3m space group. Mg(1) is bonded to twelve equivalent H(1) atoms to form MgH12 cuboctahedra that share corners with twelve equivalent Mg(1)H12 cuboctahedra, faces with six equivalent Mg(1)H12 cuboctahedra, and faces with four equivalent Ru(1)H6 octahedra. Ru(1) is bonded to six equivalent H(1) atoms to form RuH6 octahedra that share faces with eight equivalent Mg(1)H12 cuboctahedra. H(1) is bonded to four equivalent Mg(1) and one Ru(1) atom to form a mixture of edge, corner, and face-sharing HMg4Ru square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2H6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.663
_cell_length_b   4.663
_cell_length_c   4.663
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   71.714
_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
  Mg  Mg0  1  0.750  0.750  0.750  1.0
  Mg  Mg1  1  0.250  0.250  0.250  1.0
  H  H2  1  0.253  0.747  0.747  1.0
  H  H3  1  0.253  0.253  0.747  1.0
  H  H4  1  0.253  0.747  0.253  1.0
  H  H5  1  0.747  0.253  0.253  1.0
  H  H6  1  0.747  0.747  0.253  1.0
  H  H7  1  0.747  0.253  0.747  1.0
  Ru  Ru8  1  0.000  0.000  0.000  1.0
[/CIF]
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