The compound described by Mo2RuB2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to two equivalent B(1) and three equivalent B(2) atoms. In the second Mo site, Mo(2) is bonded in a 7-coordinate geometry to three equivalent B(2) and four equivalent B(1) atoms. Ru(1) is bonded in a 3-coordinate geometry to one B(1) and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Mo(1), four equivalent Mo(2), one Ru(1), one B(1), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Mo(1), three equivalent Mo(2), two equivalent Ru(1), and one B(1) atom. is represented by the CIF card [CIF]
data_B2Mo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.099
_cell_length_b   7.532
_cell_length_c   9.621
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.526
_cell_formula_units_Z   4
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  0.500  0.115  0.461  1.0
  B  B1  1  0.500  0.885  0.539  1.0
  B  B2  1  0.000  0.385  0.961  1.0
  B  B3  1  0.000  0.615  0.039  1.0
  B  B4  1  0.500  0.125  0.268  1.0
  B  B5  1  0.500  0.875  0.732  1.0
  B  B6  1  0.000  0.375  0.768  1.0
  B  B7  1  0.000  0.625  0.232  1.0
  Mo  Mo8  1  0.500  0.809  0.129  1.0
  Mo  Mo9  1  0.500  0.191  0.871  1.0
  Mo  Mo10  1  0.000  0.691  0.629  1.0
  Mo  Mo11  1  0.000  0.309  0.371  1.0
  Mo  Mo12  1  0.500  0.575  0.860  1.0
  Mo  Mo13  1  0.500  0.425  0.140  1.0
  Mo  Mo14  1  0.000  0.925  0.360  1.0
  Mo  Mo15  1  0.000  0.075  0.640  1.0
  Ru  Ru16  1  0.500  0.620  0.392  1.0
  Ru  Ru17  1  0.500  0.380  0.608  1.0
  Ru  Ru18  1  0.000  0.880  0.892  1.0
  Ru  Ru19  1  0.000  0.120  0.108  1.0
[/CIF]
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The compound described by Mo2RuB2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to two equivalent B(1) and three equivalent B(2) atoms. In the second Mo site, Mo(2) is bonded in a 7-coordinate geometry to three equivalent B(2) and four equivalent B(1) atoms. Ru(1) is bonded in a 3-coordinate geometry to one B(1) and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Mo(1), four equivalent Mo(2), one Ru(1), one B(1), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Mo(1), three equivalent Mo(2), two equivalent Ru(1), and one B(1) atom. is represented by the CIF card [CIF]
data_B2Mo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.099
_cell_length_b   7.532
_cell_length_c   9.621
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.526
_cell_formula_units_Z   4
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  0.500  0.115  0.461  1.0
  B  B1  1  0.500  0.885  0.539  1.0
  B  B2  1  0.000  0.385  0.961  1.0
  B  B3  1  0.000  0.615  0.039  1.0
  B  B4  1  0.500  0.125  0.268  1.0
  B  B5  1  0.500  0.875  0.732  1.0
  B  B6  1  0.000  0.375  0.768  1.0
  B  B7  1  0.000  0.625  0.232  1.0
  Mo  Mo8  1  0.500  0.809  0.129  1.0
  Mo  Mo9  1  0.500  0.191  0.871  1.0
  Mo  Mo10  1  0.000  0.691  0.629  1.0
  Mo  Mo11  1  0.000  0.309  0.371  1.0
  Mo  Mo12  1  0.500  0.575  0.860  1.0
  Mo  Mo13  1  0.500  0.425  0.140  1.0
  Mo  Mo14  1  0.000  0.925  0.360  1.0
  Mo  Mo15  1  0.000  0.075  0.640  1.0
  Ru  Ru16  1  0.500  0.620  0.392  1.0
  Ru  Ru17  1  0.500  0.380  0.608  1.0
  Ru  Ru18  1  0.000  0.880  0.892  1.0
  Ru  Ru19  1  0.000  0.120  0.108  1.0
[/CIF]
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