The material structure described by NbOsB crystallizes in the orthorhombic Pbam space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 11-coordinate geometry to two equivalent Os(1), four equivalent Os(2), one B(2), two equivalent B(1), and two equivalent B(3) atoms. In the second Nb site, Nb(2) is bonded in a 10-coordinate geometry to two equivalent Os(1), two equivalent Os(3), two equivalent B(3), and four equivalent B(1) atoms. In the third Nb site, Nb(3) is bonded in a 12-coordinate geometry to two equivalent Os(1), two equivalent Os(2), four equivalent Os(3), two equivalent B(2), and two equivalent B(3) atoms. There are three inequivalent Os sites. In the first Os site, Os(3) is bonded in a 9-coordinate geometry to two equivalent Nb(2), four equivalent Nb(3), one B(3), and two equivalent B(2) atoms. In the second Os site, Os(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), one B(1), and two equivalent B(2) atoms. In the third Os site, Os(2) is bonded in a 9-coordinate geometry to two equivalent Nb(3), four equivalent Nb(1), one B(3), and two equivalent B(2) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), four equivalent Nb(2), one Os(1), one B(1), and one B(3) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Nb(1), two equivalent Nb(3), two equivalent Os(1), two equivalent Os(2), and two equivalent Os(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), one Os(2), one Os(3), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbBOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.116
_cell_length_b   9.110
_cell_length_c   15.847
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.882
_cell_formula_units_Z   12
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
  Nb  Nb0  1  0.000  0.801  0.496  1.0
  Nb  Nb1  1  0.000  0.199  0.504  1.0
  Nb  Nb2  1  0.000  0.301  0.004  1.0
  Nb  Nb3  1  0.000  0.699  0.996  1.0
  Nb  Nb4  1  0.000  0.516  0.593  1.0
  Nb  Nb5  1  0.000  0.484  0.407  1.0
  Nb  Nb6  1  0.000  0.016  0.907  1.0
  Nb  Nb7  1  0.000  0.984  0.093  1.0
  Nb  Nb8  1  0.000  0.687  0.203  1.0
  Nb  Nb9  1  0.000  0.313  0.797  1.0
  Nb  Nb10  1  0.000  0.187  0.297  1.0
  Nb  Nb11  1  0.000  0.813  0.703  1.0
  B  B12  1  0.500  0.607  0.497  1.0
  B  B13  1  0.500  0.393  0.503  1.0
  B  B14  1  0.500  0.107  0.003  1.0
  B  B15  1  0.500  0.893  0.997  1.0
  B  B16  1  0.000  0.611  0.832  1.0
  B  B17  1  0.000  0.389  0.168  1.0
  B  B18  1  0.000  0.111  0.668  1.0
  B  B19  1  0.000  0.889  0.332  1.0
  B  B20  1  0.500  0.716  0.598  1.0
  B  B21  1  0.500  0.284  0.402  1.0
  B  B22  1  0.500  0.216  0.902  1.0
  B  B23  1  0.500  0.784  0.098  1.0
  Os  Os24  1  0.500  0.719  0.355  1.0
  Os  Os25  1  0.500  0.281  0.645  1.0
  Os  Os26  1  0.500  0.219  0.145  1.0
  Os  Os27  1  0.500  0.781  0.855  1.0
  Os  Os28  1  0.500  0.515  0.094  1.0
  Os  Os29  1  0.500  0.485  0.906  1.0
  Os  Os30  1  0.500  0.015  0.406  1.0
  Os  Os31  1  0.500  0.985  0.594  1.0
  Os  Os32  1  0.500  0.562  0.735  1.0
  Os  Os33  1  0.500  0.438  0.265  1.0
  Os  Os34  1  0.500  0.062  0.765  1.0
  Os  Os35  1  0.500  0.938  0.235  1.0
[/CIF]
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The material structure described by NbOsB crystallizes in the orthorhombic Pbam space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 11-coordinate geometry to two equivalent Os(1), four equivalent Os(2), one B(2), two equivalent B(1), and two equivalent B(3) atoms. In the second Nb site, Nb(2) is bonded in a 10-coordinate geometry to two equivalent Os(1), two equivalent Os(3), two equivalent B(3), and four equivalent B(1) atoms. In the third Nb site, Nb(3) is bonded in a 12-coordinate geometry to two equivalent Os(1), two equivalent Os(2), four equivalent Os(3), two equivalent B(2), and two equivalent B(3) atoms. There are three inequivalent Os sites. In the first Os site, Os(3) is bonded in a 9-coordinate geometry to two equivalent Nb(2), four equivalent Nb(3), one B(3), and two equivalent B(2) atoms. In the second Os site, Os(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), one B(1), and two equivalent B(2) atoms. In the third Os site, Os(2) is bonded in a 9-coordinate geometry to two equivalent Nb(3), four equivalent Nb(1), one B(3), and two equivalent B(2) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), four equivalent Nb(2), one Os(1), one B(1), and one B(3) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Nb(1), two equivalent Nb(3), two equivalent Os(1), two equivalent Os(2), and two equivalent Os(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), one Os(2), one Os(3), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbBOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.116
_cell_length_b   9.110
_cell_length_c   15.847
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.882
_cell_formula_units_Z   12
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
  Nb  Nb0  1  0.000  0.801  0.496  1.0
  Nb  Nb1  1  0.000  0.199  0.504  1.0
  Nb  Nb2  1  0.000  0.301  0.004  1.0
  Nb  Nb3  1  0.000  0.699  0.996  1.0
  Nb  Nb4  1  0.000  0.516  0.593  1.0
  Nb  Nb5  1  0.000  0.484  0.407  1.0
  Nb  Nb6  1  0.000  0.016  0.907  1.0
  Nb  Nb7  1  0.000  0.984  0.093  1.0
  Nb  Nb8  1  0.000  0.687  0.203  1.0
  Nb  Nb9  1  0.000  0.313  0.797  1.0
  Nb  Nb10  1  0.000  0.187  0.297  1.0
  Nb  Nb11  1  0.000  0.813  0.703  1.0
  B  B12  1  0.500  0.607  0.497  1.0
  B  B13  1  0.500  0.393  0.503  1.0
  B  B14  1  0.500  0.107  0.003  1.0
  B  B15  1  0.500  0.893  0.997  1.0
  B  B16  1  0.000  0.611  0.832  1.0
  B  B17  1  0.000  0.389  0.168  1.0
  B  B18  1  0.000  0.111  0.668  1.0
  B  B19  1  0.000  0.889  0.332  1.0
  B  B20  1  0.500  0.716  0.598  1.0
  B  B21  1  0.500  0.284  0.402  1.0
  B  B22  1  0.500  0.216  0.902  1.0
  B  B23  1  0.500  0.784  0.098  1.0
  Os  Os24  1  0.500  0.719  0.355  1.0
  Os  Os25  1  0.500  0.281  0.645  1.0
  Os  Os26  1  0.500  0.219  0.145  1.0
  Os  Os27  1  0.500  0.781  0.855  1.0
  Os  Os28  1  0.500  0.515  0.094  1.0
  Os  Os29  1  0.500  0.485  0.906  1.0
  Os  Os30  1  0.500  0.015  0.406  1.0
  Os  Os31  1  0.500  0.985  0.594  1.0
  Os  Os32  1  0.500  0.562  0.735  1.0
  Os  Os33  1  0.500  0.438  0.265  1.0
  Os  Os34  1  0.500  0.062  0.765  1.0
  Os  Os35  1  0.500  0.938  0.235  1.0
[/CIF]
.