data_NaB2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   6.2
_cell_angle_alpha   118.07
_cell_angle_beta   118.07
_cell_angle_gamma   43.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaB2Ru
_chemical_formula_sum   'Na1 B2 Ru1'
_cell_volume   60.64
_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
  Na  Na2  1  0.31  0.0  0.59  1.0
  B  B0  1  0.16  0.0  0.04  1.0
  B  B1  1  0.61  0.0  0.3  1.0
  Ru  Ru3  1  0.96  0.0  0.07  1.0

data_NaB2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.04
_cell_length_c   5.58
_cell_angle_alpha   78.36
_cell_angle_beta   74.27
_cell_angle_gamma   68.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaB2Ru
_chemical_formula_sum   'Na1 B2 Ru1'
_cell_volume   60.64
_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
  Na  Na0  1  0.0  0.72  0.59  1.0
  B  B1  1  0.0  0.11  0.04  1.0
  B  B2  1  0.0  0.31  0.3  1.0
  Ru  Ru3  1  0.0  0.88  0.07  1.0

Na B B Ru
Na B B Ru 0 2 o - o 0 2 - o o 0 2 o o o 0 1 o o o 0 1 o o + 0 1 + o + 0 3 - o o 0 3 o o + 0 0 + - o 1 3 - o o 1 2 o o o 
NaRuB2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent Ru(1), one B(1), and three equivalent B(2) atoms. There is one shorter (2.85 Å) and one longer (2.89 Å) Na(1)-Ru(1) bond length. The Na(1)-B(1) bond length is 3.12 Å. There are a spread of Na(1)-B(2) bond distances ranging from 2.56-3.04 Å. Ru(1) is bonded in a single-bond geometry to two equivalent Na(1), one B(1), and one B(2) atom. The Ru(1)-B(1) bond length is 0.91 Å. The Ru(1)-B(2) bond length is 2.42 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one Na(1), one Ru(1), and one B(2) atom. The B(1)-B(2) bond length is 1.77 Å. In the second B site, B(2) is bonded in a 5-coordinate geometry to three equivalent Na(1), one Ru(1), and one B(1) atom.