The crystal structure described by Nb2OsB2 crystallizes in the tetragonal P4/mnc space group. Nb(1) is bonded in a 10-coordinate geometry to four equivalent Os(1) and six equivalent B(1) atoms. Os(1) is bonded in a 12-coordinate geometry to eight equivalent Nb(1) and four equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to six equivalent Nb(1), two equivalent Os(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Nb2B2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.929
_cell_length_b   5.929
_cell_length_c   6.898
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.511
_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
  Nb  Nb0  1  0.664  0.814  0.500  1.0
  Nb  Nb1  1  0.336  0.186  0.500  1.0
  Nb  Nb2  1  0.836  0.314  0.000  1.0
  Nb  Nb3  1  0.164  0.686  0.000  1.0
  Nb  Nb4  1  0.814  0.336  0.500  1.0
  Nb  Nb5  1  0.186  0.664  0.500  1.0
  Nb  Nb6  1  0.314  0.164  0.000  1.0
  Nb  Nb7  1  0.686  0.836  0.000  1.0
  B  B8  1  0.387  0.887  0.250  1.0
  B  B9  1  0.613  0.113  0.250  1.0
  B  B10  1  0.113  0.387  0.750  1.0
  B  B11  1  0.887  0.613  0.750  1.0
  B  B12  1  0.887  0.613  0.250  1.0
  B  B13  1  0.113  0.387  0.250  1.0
  B  B14  1  0.387  0.887  0.750  1.0
  B  B15  1  0.613  0.113  0.750  1.0
  Os  Os16  1  0.500  0.500  0.221  1.0
  Os  Os17  1  0.000  0.000  0.721  1.0
  Os  Os18  1  0.500  0.500  0.779  1.0
  Os  Os19  1  0.000  0.000  0.279  1.0
[/CIF]
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The crystal structure described by Nb2OsB2 crystallizes in the tetragonal P4/mnc space group. Nb(1) is bonded in a 10-coordinate geometry to four equivalent Os(1) and six equivalent B(1) atoms. Os(1) is bonded in a 12-coordinate geometry to eight equivalent Nb(1) and four equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to six equivalent Nb(1), two equivalent Os(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Nb2B2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.929
_cell_length_b   5.929
_cell_length_c   6.898
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.511
_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
  Nb  Nb0  1  0.664  0.814  0.500  1.0
  Nb  Nb1  1  0.336  0.186  0.500  1.0
  Nb  Nb2  1  0.836  0.314  0.000  1.0
  Nb  Nb3  1  0.164  0.686  0.000  1.0
  Nb  Nb4  1  0.814  0.336  0.500  1.0
  Nb  Nb5  1  0.186  0.664  0.500  1.0
  Nb  Nb6  1  0.314  0.164  0.000  1.0
  Nb  Nb7  1  0.686  0.836  0.000  1.0
  B  B8  1  0.387  0.887  0.250  1.0
  B  B9  1  0.613  0.113  0.250  1.0
  B  B10  1  0.113  0.387  0.750  1.0
  B  B11  1  0.887  0.613  0.750  1.0
  B  B12  1  0.887  0.613  0.250  1.0
  B  B13  1  0.113  0.387  0.250  1.0
  B  B14  1  0.387  0.887  0.750  1.0
  B  B15  1  0.613  0.113  0.750  1.0
  Os  Os16  1  0.500  0.500  0.221  1.0
  Os  Os17  1  0.000  0.000  0.721  1.0
  Os  Os18  1  0.500  0.500  0.779  1.0
  Os  Os19  1  0.000  0.000  0.279  1.0
[/CIF]
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