data_CuB2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   141.23
_cell_angle_beta   141.23
_cell_angle_gamma   56.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuB2Ru
_chemical_formula_sum   'Cu1 B2 Ru1'
_cell_volume   38.88
_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
  Cu  Cu2  1  0.0  0.0  0.1  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.54  0.0  0.05  1.0
  Ru  Ru3  1  0.0  0.54  0.05  1.0

data_CuB2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   4.64
_cell_angle_alpha   109.39
_cell_angle_beta   109.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuB2Ru
_chemical_formula_sum   'Cu1 B2 Ru1'
_cell_volume   38.88
_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
  Cu  Cu0  1  0.9  0.0  0.9  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.95  0.0  0.49  1.0
  Ru  Ru3  1  0.49  0.54  0.49  1.0

Cu B B Ru
RuCuB2 crystallizes in the triclinic P1 space group. Ru(1) is bonded in a 6-coordinate geometry to one Cu(1), one B(1), and four equivalent B(2) atoms. The Ru(1)-Cu(1) bond length is 1.96 Å. The Ru(1)-B(1) bond length is 2.34 Å. There are a spread of Ru(1)-B(2) bond distances ranging from 2.00-2.35 Å. Cu(1) is bonded in a distorted single-bond geometry to one Ru(1), one B(1), and one B(2) atom. The Cu(1)-B(1) bond length is 0.45 Å. The Cu(1)-B(2) bond length is 1.96 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one Ru(1) and one Cu(1) atom. In the second B site, B(2) is bonded in a 5-coordinate geometry to four equivalent Ru(1) and one Cu(1) atom.