The structure described by RuPSe crystallizes in the monoclinic P2_1/c space group. Ru(1) is bonded to three equivalent P(1) and three equivalent Se(1) atoms to form distorted RuP3Se3 octahedra that share corners with eight equivalent Ru(1)P3Se3 octahedra, corners with three equivalent P(1)Ru3Se tetrahedra, corners with three equivalent Se(1)PRu3 tetrahedra, and edges with two equivalent Ru(1)P3Se3 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. P(1) is bonded to three equivalent Ru(1) and one Se(1) atom to form distorted PRu3Se tetrahedra that share corners with three equivalent Ru(1)P3Se3 octahedra, corners with four equivalent P(1)Ru3Se tetrahedra, corners with nine equivalent Se(1)PRu3 tetrahedra, and  an edgeedge with one P(1)Ru3Se tetrahedra. The corner-sharing octahedral tilt angles range from 65-71°. Se(1) is bonded to three equivalent Ru(1) and one P(1) atom to form SePRu3 tetrahedra that share corners with three equivalent Ru(1)P3Se3 octahedra, corners with four equivalent Se(1)PRu3 tetrahedra, corners with nine equivalent P(1)Ru3Se tetrahedra, and  an edgeedge with one Se(1)PRu3 tetrahedra. The corner-sharing octahedral tilt angles range from 73-81°. is represented by the CIF card [CIF]
data_PRuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.981
_cell_length_b   5.967
_cell_length_c   6.056
_cell_angle_alpha   67.917
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.277
_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  0.129  0.856  0.881  1.0
  P  P1  1  0.629  0.144  0.619  1.0
  P  P2  1  0.871  0.144  0.119  1.0
  P  P3  1  0.371  0.856  0.381  1.0
  Ru  Ru4  1  0.489  0.736  0.790  1.0
  Ru  Ru5  1  0.989  0.264  0.710  1.0
  Ru  Ru6  1  0.511  0.264  0.210  1.0
  Ru  Ru7  1  0.011  0.736  0.290  1.0
  Se  Se8  1  0.875  0.666  0.693  1.0
  Se  Se9  1  0.375  0.334  0.807  1.0
  Se  Se10  1  0.125  0.334  0.307  1.0
  Se  Se11  1  0.625  0.666  0.193  1.0
[/CIF]
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The structure described by RuPSe crystallizes in the monoclinic P2_1/c space group. Ru(1) is bonded to three equivalent P(1) and three equivalent Se(1) atoms to form distorted RuP3Se3 octahedra that share corners with eight equivalent Ru(1)P3Se3 octahedra, corners with three equivalent P(1)Ru3Se tetrahedra, corners with three equivalent Se(1)PRu3 tetrahedra, and edges with two equivalent Ru(1)P3Se3 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. P(1) is bonded to three equivalent Ru(1) and one Se(1) atom to form distorted PRu3Se tetrahedra that share corners with three equivalent Ru(1)P3Se3 octahedra, corners with four equivalent P(1)Ru3Se tetrahedra, corners with nine equivalent Se(1)PRu3 tetrahedra, and  an edgeedge with one P(1)Ru3Se tetrahedra. The corner-sharing octahedral tilt angles range from 65-71°. Se(1) is bonded to three equivalent Ru(1) and one P(1) atom to form SePRu3 tetrahedra that share corners with three equivalent Ru(1)P3Se3 octahedra, corners with four equivalent Se(1)PRu3 tetrahedra, corners with nine equivalent P(1)Ru3Se tetrahedra, and  an edgeedge with one Se(1)PRu3 tetrahedra. The corner-sharing octahedral tilt angles range from 73-81°. is represented by the CIF card [CIF]
data_PRuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.981
_cell_length_b   5.967
_cell_length_c   6.056
_cell_angle_alpha   67.917
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.277
_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  0.129  0.856  0.881  1.0
  P  P1  1  0.629  0.144  0.619  1.0
  P  P2  1  0.871  0.144  0.119  1.0
  P  P3  1  0.371  0.856  0.381  1.0
  Ru  Ru4  1  0.489  0.736  0.790  1.0
  Ru  Ru5  1  0.989  0.264  0.710  1.0
  Ru  Ru6  1  0.511  0.264  0.210  1.0
  Ru  Ru7  1  0.011  0.736  0.290  1.0
  Se  Se8  1  0.875  0.666  0.693  1.0
  Se  Se9  1  0.375  0.334  0.807  1.0
  Se  Se10  1  0.125  0.334  0.307  1.0
  Se  Se11  1  0.625  0.666  0.193  1.0
[/CIF]
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