The crystal structure described by OsPSe crystallizes in the monoclinic P2_1/c space group. Os(1) is bonded to three equivalent P(1) and three equivalent Se(1) atoms to form distorted OsP3Se3 octahedra that share corners with eight equivalent Os(1)P3Se3 octahedra, corners with three equivalent P(1)Os3Se tetrahedra, corners with three equivalent Se(1)POs3 tetrahedra, and edges with two equivalent Os(1)P3Se3 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. P(1) is bonded to three equivalent Os(1) and one Se(1) atom to form distorted POs3Se tetrahedra that share corners with three equivalent Os(1)P3Se3 octahedra, corners with four equivalent P(1)Os3Se tetrahedra, corners with nine equivalent Se(1)POs3 tetrahedra, and  an edgeedge with one P(1)Os3Se tetrahedra. The corner-sharing octahedral tilt angles range from 64-72°. Se(1) is bonded to three equivalent Os(1) and one P(1) atom to form SePOs3 tetrahedra that share corners with three equivalent Os(1)P3Se3 octahedra, corners with four equivalent Se(1)POs3 tetrahedra, corners with nine equivalent P(1)Os3Se tetrahedra, and  an edgeedge with one Se(1)POs3 tetrahedra. The corner-sharing octahedral tilt angles range from 73-82°. is represented by the CIF file [CIF]
data_POsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   5.992
_cell_length_c   6.086
_cell_angle_alpha   112.133
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.157
_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
  P  P0  1  0.370  0.143  0.384  1.0
  P  P1  1  0.870  0.857  0.116  1.0
  P  P2  1  0.630  0.857  0.616  1.0
  P  P3  1  0.130  0.143  0.884  1.0
  Os  Os4  1  0.012  0.263  0.291  1.0
  Os  Os5  1  0.512  0.737  0.209  1.0
  Os  Os6  1  0.988  0.737  0.709  1.0
  Os  Os7  1  0.488  0.263  0.791  1.0
  Se  Se8  1  0.625  0.335  0.194  1.0
  Se  Se9  1  0.125  0.665  0.306  1.0
  Se  Se10  1  0.375  0.665  0.806  1.0
  Se  Se11  1  0.875  0.335  0.694  1.0
[/CIF]
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The crystal structure described by OsPSe crystallizes in the monoclinic P2_1/c space group. Os(1) is bonded to three equivalent P(1) and three equivalent Se(1) atoms to form distorted OsP3Se3 octahedra that share corners with eight equivalent Os(1)P3Se3 octahedra, corners with three equivalent P(1)Os3Se tetrahedra, corners with three equivalent Se(1)POs3 tetrahedra, and edges with two equivalent Os(1)P3Se3 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. P(1) is bonded to three equivalent Os(1) and one Se(1) atom to form distorted POs3Se tetrahedra that share corners with three equivalent Os(1)P3Se3 octahedra, corners with four equivalent P(1)Os3Se tetrahedra, corners with nine equivalent Se(1)POs3 tetrahedra, and  an edgeedge with one P(1)Os3Se tetrahedra. The corner-sharing octahedral tilt angles range from 64-72°. Se(1) is bonded to three equivalent Os(1) and one P(1) atom to form SePOs3 tetrahedra that share corners with three equivalent Os(1)P3Se3 octahedra, corners with four equivalent Se(1)POs3 tetrahedra, corners with nine equivalent P(1)Os3Se tetrahedra, and  an edgeedge with one Se(1)POs3 tetrahedra. The corner-sharing octahedral tilt angles range from 73-82°. is represented by the CIF file [CIF]
data_POsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   5.992
_cell_length_c   6.086
_cell_angle_alpha   112.133
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.157
_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
  P  P0  1  0.370  0.143  0.384  1.0
  P  P1  1  0.870  0.857  0.116  1.0
  P  P2  1  0.630  0.857  0.616  1.0
  P  P3  1  0.130  0.143  0.884  1.0
  Os  Os4  1  0.012  0.263  0.291  1.0
  Os  Os5  1  0.512  0.737  0.209  1.0
  Os  Os6  1  0.988  0.737  0.709  1.0
  Os  Os7  1  0.488  0.263  0.791  1.0
  Se  Se8  1  0.625  0.335  0.194  1.0
  Se  Se9  1  0.125  0.665  0.306  1.0
  Se  Se10  1  0.375  0.665  0.806  1.0
  Se  Se11  1  0.875  0.335  0.694  1.0
[/CIF]
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