The material structure described by MoRu2B4 crystallizes in the triclinic P1 space group. Mo(1) is bonded in a 6-coordinate geometry to one B(2), one B(3), two equivalent B(1), and two equivalent B(4) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 6-coordinate geometry to one B(2), one B(3), two equivalent B(1), and two equivalent B(4) atoms. In the second Ru site, Ru(2) is bonded in a 6-coordinate geometry to one B(1), one B(4), two equivalent B(2), and two equivalent B(3) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to two equivalent Mo(1), one Ru(2), two equivalent Ru(1), one B(3), and one B(4) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one Mo(1), one Ru(1), two equivalent Ru(2), one B(3), and one B(4) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to one Mo(1), one Ru(1), two equivalent Ru(2), one B(1), and one B(2) atom. In the fourth B site, B(4) is bonded in a 7-coordinate geometry to two equivalent Mo(1), one Ru(2), two equivalent Ru(1), one B(1), and one B(2) atom. is represented by the CIF file [CIF]
data_B4MoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.056
_cell_length_b   4.102
_cell_length_c   4.379
_cell_angle_alpha   103.996
_cell_angle_beta   116.258
_cell_angle_gamma   75.581
_symmetry_Int_Tables_number   1
_cell_volume   77.962
_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
  B  B0  1  0.953  0.673  0.149  1.0
  B  B1  1  0.341  0.490  0.790  1.0
  B  B2  1  0.653  0.492  0.165  1.0
  B  B3  1  0.081  0.342  0.886  1.0
  Mo  Mo4  1  0.899  0.839  0.676  1.0
  Ru  Ru5  1  0.073  0.185  0.337  1.0
  Ru  Ru6  1  0.499  0.980  0.997  1.0
[/CIF]
.
The material structure described by MoRu2B4 crystallizes in the triclinic P1 space group. Mo(1) is bonded in a 6-coordinate geometry to one B(2), one B(3), two equivalent B(1), and two equivalent B(4) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 6-coordinate geometry to one B(2), one B(3), two equivalent B(1), and two equivalent B(4) atoms. In the second Ru site, Ru(2) is bonded in a 6-coordinate geometry to one B(1), one B(4), two equivalent B(2), and two equivalent B(3) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to two equivalent Mo(1), one Ru(2), two equivalent Ru(1), one B(3), and one B(4) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one Mo(1), one Ru(1), two equivalent Ru(2), one B(3), and one B(4) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to one Mo(1), one Ru(1), two equivalent Ru(2), one B(1), and one B(2) atom. In the fourth B site, B(4) is bonded in a 7-coordinate geometry to two equivalent Mo(1), one Ru(2), two equivalent Ru(1), one B(1), and one B(2) atom. is represented by the CIF file [CIF]
data_B4MoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.056
_cell_length_b   4.102
_cell_length_c   4.379
_cell_angle_alpha   103.996
_cell_angle_beta   116.258
_cell_angle_gamma   75.581
_symmetry_Int_Tables_number   1
_cell_volume   77.962
_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
  B  B0  1  0.953  0.673  0.149  1.0
  B  B1  1  0.341  0.490  0.790  1.0
  B  B2  1  0.653  0.492  0.165  1.0
  B  B3  1  0.081  0.342  0.886  1.0
  Mo  Mo4  1  0.899  0.839  0.676  1.0
  Ru  Ru5  1  0.073  0.185  0.337  1.0
  Ru  Ru6  1  0.499  0.980  0.997  1.0
[/CIF]
.