data_Si2BRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2BRu
_chemical_formula_sum   'Si2 B1 Ru1'
_cell_volume   45.28
_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
  Si  Si2  1  0.49  0.49  0.97  1.0
  Si  Si3  1  0.49  0.49  0.11  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.54  1.0

data_Si2BRu
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   Si2BRu
_chemical_formula_sum   'Si2 B1 Ru1'
_cell_volume   45.28
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Si  Si0  1  0.5  0.5  0.11  1.0
  Si  Si1  1  0.5  0.5  0.97  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.54  1.0

Si Si B Ru
Si Si B Ru 0 1 o o + 0 2 + + + 0 2 + o + 0 2 o + + 0 2 o o + 0 3 + + o 0 3 + o o 0 3 o + o 0 3 o o o 1 2 + + o 1 2 + o o 1 2 o + o 1 2 o o o 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 3 o o - 2 3 o o o 3 3 + o o 3 3 o + o 
RuBSi2 crystallizes in the monoclinic Cm space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 14-coordinate geometry to four equivalent Ru(1), two equivalent B(1), four equivalent Si(1), and four equivalent Si(2) atoms. All Ru(1)-Ru(1) bond lengths are 2.99 Å. There is one shorter (2.34 Å) and one longer (2.73 Å) Ru(1)-B(1) bond length. There are a spread of Ru(1)-Si(1) bond distances ranging from 3.01-3.05 Å. There are a spread of Ru(1)-Si(2) bond distances ranging from 3.01-3.05 Å. In the second Ru site, Ru(1) is bonded in a 14-coordinate geometry to four equivalent Ru(1), two equivalent B(1), four equivalent Si(1), and four equivalent Si(2) atoms. There is one shorter (2.34 Å) and one longer (2.73 Å) Ru(1)-B(1) bond length. There are a spread of Ru(1)-Si(1) bond distances ranging from 3.01-3.05 Å. There are a spread of Ru(1)-Si(2) bond distances ranging from 3.01-3.05 Å. B(1) is bonded in a distorted q4 geometry to two equivalent Ru(1), four equivalent Si(1), and four equivalent Si(2) atoms. There are a spread of B(1)-Si(1) bond distances ranging from 2.09-2.15 Å. There are a spread of B(1)-Si(2) bond distances ranging from 2.16-2.21 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a single-bond geometry to four Ru(1,1); four equivalent B(1); and one Si(2) atom. The Si(1)-Si(2) bond length is 0.72 Å. In the second Si site, Si(2) is bonded in a single-bond geometry to four Ru(1,1); four equivalent B(1); and one Si(1) atom.