The crystal structure described by OsB4 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 14-coordinate geometry to two equivalent B(2) and twelve equivalent B(1) atoms. In the second Os site, Os(2) is bonded to twelve equivalent B(1) atoms to form face-sharing OsB12 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Os(1), two equivalent Os(2), two equivalent B(2), and three equivalent B(1) atoms. In the second B site, B(2) is bonded in a 8-coordinate geometry to one Os(1), one B(2), and six equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_B4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.342
_cell_length_b   5.342
_cell_length_c   6.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   159.454
_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  0.335  0.335  0.500  1.0
  B  B1  1  0.665  0.000  0.500  1.0
  B  B2  1  0.000  0.665  0.500  1.0
  B  B3  1  0.665  0.665  0.500  1.0
  B  B4  1  0.000  0.335  0.500  1.0
  B  B5  1  0.335  0.000  0.500  1.0
  B  B6  1  0.665  0.665  0.000  1.0
  B  B7  1  0.335  0.000  0.000  1.0
  B  B8  1  0.000  0.335  0.000  1.0
  B  B9  1  0.335  0.335  0.000  1.0
  B  B10  1  0.000  0.665  0.000  1.0
  B  B11  1  0.665  0.000  0.000  1.0
  B  B12  1  0.333  0.667  0.884  1.0
  B  B13  1  0.667  0.333  0.116  1.0
  B  B14  1  0.667  0.333  0.384  1.0
  B  B15  1  0.333  0.667  0.616  1.0
  Os  Os16  1  0.333  0.667  0.250  1.0
  Os  Os17  1  0.667  0.333  0.750  1.0
  Os  Os18  1  0.000  0.000  0.250  1.0
  Os  Os19  1  0.000  0.000  0.750  1.0
[/CIF]
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The crystal structure described by OsB4 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 14-coordinate geometry to two equivalent B(2) and twelve equivalent B(1) atoms. In the second Os site, Os(2) is bonded to twelve equivalent B(1) atoms to form face-sharing OsB12 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Os(1), two equivalent Os(2), two equivalent B(2), and three equivalent B(1) atoms. In the second B site, B(2) is bonded in a 8-coordinate geometry to one Os(1), one B(2), and six equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_B4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.342
_cell_length_b   5.342
_cell_length_c   6.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   159.454
_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  0.335  0.335  0.500  1.0
  B  B1  1  0.665  0.000  0.500  1.0
  B  B2  1  0.000  0.665  0.500  1.0
  B  B3  1  0.665  0.665  0.500  1.0
  B  B4  1  0.000  0.335  0.500  1.0
  B  B5  1  0.335  0.000  0.500  1.0
  B  B6  1  0.665  0.665  0.000  1.0
  B  B7  1  0.335  0.000  0.000  1.0
  B  B8  1  0.000  0.335  0.000  1.0
  B  B9  1  0.335  0.335  0.000  1.0
  B  B10  1  0.000  0.665  0.000  1.0
  B  B11  1  0.665  0.000  0.000  1.0
  B  B12  1  0.333  0.667  0.884  1.0
  B  B13  1  0.667  0.333  0.116  1.0
  B  B14  1  0.667  0.333  0.384  1.0
  B  B15  1  0.333  0.667  0.616  1.0
  Os  Os16  1  0.333  0.667  0.250  1.0
  Os  Os17  1  0.667  0.333  0.750  1.0
  Os  Os18  1  0.000  0.000  0.250  1.0
  Os  Os19  1  0.000  0.000  0.750  1.0
[/CIF]
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