The material structure described by Mo2OsB2 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. Os(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 Os(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 Os(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_B2Mo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.077
_cell_length_b   7.606
_cell_length_c   9.650
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.832
_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  0.116  0.461  1.0
  B  B1  1  0.500  0.884  0.539  1.0
  B  B2  1  0.000  0.384  0.961  1.0
  B  B3  1  0.000  0.616  0.039  1.0
  B  B4  1  0.500  0.126  0.267  1.0
  B  B5  1  0.500  0.874  0.733  1.0
  B  B6  1  0.000  0.374  0.767  1.0
  B  B7  1  0.000  0.626  0.233  1.0
  Mo  Mo8  1  0.500  0.808  0.130  1.0
  Mo  Mo9  1  0.500  0.192  0.870  1.0
  Mo  Mo10  1  0.000  0.692  0.630  1.0
  Mo  Mo11  1  0.000  0.308  0.370  1.0
  Mo  Mo12  1  0.500  0.574  0.860  1.0
  Mo  Mo13  1  0.500  0.426  0.140  1.0
  Mo  Mo14  1  0.000  0.926  0.360  1.0
  Mo  Mo15  1  0.000  0.074  0.640  1.0
  Os  Os16  1  0.500  0.619  0.393  1.0
  Os  Os17  1  0.500  0.381  0.607  1.0
  Os  Os18  1  0.000  0.881  0.893  1.0
  Os  Os19  1  0.000  0.119  0.107  1.0
[/CIF]
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The material structure described by Mo2OsB2 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. Os(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 Os(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 Os(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_B2Mo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.077
_cell_length_b   7.606
_cell_length_c   9.650
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.832
_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  0.116  0.461  1.0
  B  B1  1  0.500  0.884  0.539  1.0
  B  B2  1  0.000  0.384  0.961  1.0
  B  B3  1  0.000  0.616  0.039  1.0
  B  B4  1  0.500  0.126  0.267  1.0
  B  B5  1  0.500  0.874  0.733  1.0
  B  B6  1  0.000  0.374  0.767  1.0
  B  B7  1  0.000  0.626  0.233  1.0
  Mo  Mo8  1  0.500  0.808  0.130  1.0
  Mo  Mo9  1  0.500  0.192  0.870  1.0
  Mo  Mo10  1  0.000  0.692  0.630  1.0
  Mo  Mo11  1  0.000  0.308  0.370  1.0
  Mo  Mo12  1  0.500  0.574  0.860  1.0
  Mo  Mo13  1  0.500  0.426  0.140  1.0
  Mo  Mo14  1  0.000  0.926  0.360  1.0
  Mo  Mo15  1  0.000  0.074  0.640  1.0
  Os  Os16  1  0.500  0.619  0.393  1.0
  Os  Os17  1  0.500  0.381  0.607  1.0
  Os  Os18  1  0.000  0.881  0.893  1.0
  Os  Os19  1  0.000  0.119  0.107  1.0
[/CIF]
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