The compound described by OsAsSe crystallizes in the monoclinic P2_1/c space group. Os(1) is bonded to three equivalent As(1) and three equivalent Se(1) atoms to form distorted OsAs3Se3 octahedra that share corners with eight equivalent Os(1)As3Se3 octahedra, corners with three equivalent As(1)Os3Se tetrahedra, corners with three equivalent Se(1)AsOs3 tetrahedra, and edges with two equivalent Os(1)As3Se3 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. As(1) is bonded to three equivalent Os(1) and one Se(1) atom to form distorted AsOs3Se tetrahedra that share corners with three equivalent Os(1)As3Se3 octahedra, corners with four equivalent As(1)Os3Se tetrahedra, corners with nine equivalent Se(1)AsOs3 tetrahedra, and  an edgeedge with one As(1)Os3Se tetrahedra. The corner-sharing octahedral tilt angles range from 66-73°. Se(1) is bonded to three equivalent Os(1) and one As(1) atom to form SeAsOs3 tetrahedra that share corners with three equivalent Os(1)As3Se3 octahedra, corners with four equivalent Se(1)AsOs3 tetrahedra, corners with nine equivalent As(1)Os3Se tetrahedra, and  an edgeedge with one Se(1)AsOs3 tetrahedra. The corner-sharing octahedral tilt angles range from 75-80°. is represented by the CIF card [CIF]
data_AsOsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.093
_cell_length_b   6.131
_cell_length_c   6.202
_cell_angle_alpha   112.363
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.278
_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
  As  As0  1  0.367  0.644  0.881  1.0
  As  As1  1  0.633  0.356  0.119  1.0
  As  As2  1  0.867  0.356  0.619  1.0
  As  As3  1  0.133  0.644  0.381  1.0
  Os  Os4  1  0.003  0.774  0.794  1.0
  Os  Os5  1  0.997  0.226  0.206  1.0
  Os  Os6  1  0.503  0.226  0.706  1.0
  Os  Os7  1  0.497  0.774  0.294  1.0
  Se  Se8  1  0.628  0.841  0.688  1.0
  Se  Se9  1  0.372  0.159  0.312  1.0
  Se  Se10  1  0.128  0.159  0.812  1.0
  Se  Se11  1  0.872  0.841  0.188  1.0
[/CIF]
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The compound described by OsAsSe crystallizes in the monoclinic P2_1/c space group. Os(1) is bonded to three equivalent As(1) and three equivalent Se(1) atoms to form distorted OsAs3Se3 octahedra that share corners with eight equivalent Os(1)As3Se3 octahedra, corners with three equivalent As(1)Os3Se tetrahedra, corners with three equivalent Se(1)AsOs3 tetrahedra, and edges with two equivalent Os(1)As3Se3 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. As(1) is bonded to three equivalent Os(1) and one Se(1) atom to form distorted AsOs3Se tetrahedra that share corners with three equivalent Os(1)As3Se3 octahedra, corners with four equivalent As(1)Os3Se tetrahedra, corners with nine equivalent Se(1)AsOs3 tetrahedra, and  an edgeedge with one As(1)Os3Se tetrahedra. The corner-sharing octahedral tilt angles range from 66-73°. Se(1) is bonded to three equivalent Os(1) and one As(1) atom to form SeAsOs3 tetrahedra that share corners with three equivalent Os(1)As3Se3 octahedra, corners with four equivalent Se(1)AsOs3 tetrahedra, corners with nine equivalent As(1)Os3Se tetrahedra, and  an edgeedge with one Se(1)AsOs3 tetrahedra. The corner-sharing octahedral tilt angles range from 75-80°. is represented by the CIF card [CIF]
data_AsOsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.093
_cell_length_b   6.131
_cell_length_c   6.202
_cell_angle_alpha   112.363
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.278
_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
  As  As0  1  0.367  0.644  0.881  1.0
  As  As1  1  0.633  0.356  0.119  1.0
  As  As2  1  0.867  0.356  0.619  1.0
  As  As3  1  0.133  0.644  0.381  1.0
  Os  Os4  1  0.003  0.774  0.794  1.0
  Os  Os5  1  0.997  0.226  0.206  1.0
  Os  Os6  1  0.503  0.226  0.706  1.0
  Os  Os7  1  0.497  0.774  0.294  1.0
  Se  Se8  1  0.628  0.841  0.688  1.0
  Se  Se9  1  0.372  0.159  0.312  1.0
  Se  Se10  1  0.128  0.159  0.812  1.0
  Se  Se11  1  0.872  0.841  0.188  1.0
[/CIF]
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