The material described by OsSbSe crystallizes in the monoclinic P2_1/c space group. Os(1) is bonded to three equivalent Sb(1) and three equivalent Se(1) atoms to form distorted OsSb3Se3 octahedra that share corners with eight equivalent Os(1)Sb3Se3 octahedra, corners with three equivalent Sb(1)Os3Se tetrahedra, corners with three equivalent Se(1)SbOs3 tetrahedra, and edges with two equivalent Os(1)Sb3Se3 octahedra. The corner-sharing octahedral tilt angles range from 51-61°. Sb(1) is bonded to three equivalent Os(1) and one Se(1) atom to form distorted SbOs3Se tetrahedra that share corners with three equivalent Os(1)Sb3Se3 octahedra, corners with four equivalent Sb(1)Os3Se tetrahedra, corners with nine equivalent Se(1)SbOs3 tetrahedra, and  an edgeedge with one Sb(1)Os3Se tetrahedra. The corner-sharing octahedral tilt angles range from 68-75°. Se(1) is bonded to three equivalent Os(1) and one Sb(1) atom to form SeSbOs3 tetrahedra that share corners with three equivalent Os(1)Sb3Se3 octahedra, corners with four equivalent Se(1)SbOs3 tetrahedra, corners with nine equivalent Sb(1)Os3Se tetrahedra, and  an edgeedge with one Se(1)SbOs3 tetrahedra. The corner-sharing octahedral tilt angles range from 77-79°. is represented by the CIF file [CIF]
data_SbOsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.376
_cell_length_b   6.454
_cell_length_c   6.498
_cell_angle_alpha   112.915
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.308
_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
  Sb  Sb0  1  0.135  0.856  0.121  1.0
  Sb  Sb1  1  0.635  0.144  0.379  1.0
  Sb  Sb2  1  0.865  0.144  0.879  1.0
  Sb  Sb3  1  0.365  0.856  0.621  1.0
  Os  Os4  1  0.505  0.713  0.200  1.0
  Os  Os5  1  0.005  0.287  0.300  1.0
  Os  Os6  1  0.495  0.287  0.800  1.0
  Os  Os7  1  0.995  0.713  0.700  1.0
  Se  Se8  1  0.866  0.650  0.318  1.0
  Se  Se9  1  0.366  0.350  0.182  1.0
  Se  Se10  1  0.134  0.350  0.682  1.0
  Se  Se11  1  0.634  0.650  0.818  1.0
[/CIF]
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The material described by OsSbSe crystallizes in the monoclinic P2_1/c space group. Os(1) is bonded to three equivalent Sb(1) and three equivalent Se(1) atoms to form distorted OsSb3Se3 octahedra that share corners with eight equivalent Os(1)Sb3Se3 octahedra, corners with three equivalent Sb(1)Os3Se tetrahedra, corners with three equivalent Se(1)SbOs3 tetrahedra, and edges with two equivalent Os(1)Sb3Se3 octahedra. The corner-sharing octahedral tilt angles range from 51-61°. Sb(1) is bonded to three equivalent Os(1) and one Se(1) atom to form distorted SbOs3Se tetrahedra that share corners with three equivalent Os(1)Sb3Se3 octahedra, corners with four equivalent Sb(1)Os3Se tetrahedra, corners with nine equivalent Se(1)SbOs3 tetrahedra, and  an edgeedge with one Sb(1)Os3Se tetrahedra. The corner-sharing octahedral tilt angles range from 68-75°. Se(1) is bonded to three equivalent Os(1) and one Sb(1) atom to form SeSbOs3 tetrahedra that share corners with three equivalent Os(1)Sb3Se3 octahedra, corners with four equivalent Se(1)SbOs3 tetrahedra, corners with nine equivalent Sb(1)Os3Se tetrahedra, and  an edgeedge with one Se(1)SbOs3 tetrahedra. The corner-sharing octahedral tilt angles range from 77-79°. is represented by the CIF file [CIF]
data_SbOsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.376
_cell_length_b   6.454
_cell_length_c   6.498
_cell_angle_alpha   112.915
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.308
_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
  Sb  Sb0  1  0.135  0.856  0.121  1.0
  Sb  Sb1  1  0.635  0.144  0.379  1.0
  Sb  Sb2  1  0.865  0.144  0.879  1.0
  Sb  Sb3  1  0.365  0.856  0.621  1.0
  Os  Os4  1  0.505  0.713  0.200  1.0
  Os  Os5  1  0.005  0.287  0.300  1.0
  Os  Os6  1  0.495  0.287  0.800  1.0
  Os  Os7  1  0.995  0.713  0.700  1.0
  Se  Se8  1  0.866  0.650  0.318  1.0
  Se  Se9  1  0.366  0.350  0.182  1.0
  Se  Se10  1  0.134  0.350  0.682  1.0
  Se  Se11  1  0.634  0.650  0.818  1.0
[/CIF]
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