The material described by Rh2Se3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. Rh(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form a mixture of corner, face, and edge-sharing RhSe6 octahedra. The corner-sharing octahedral tilt angles range from 48-70°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to four equivalent Rh(1) atoms to form a mixture of distorted corner and edge-sharing SeRh4 tetrahedra. In the second Se site, Se(2) is bonded to four equivalent Rh(1) atoms to form a mixture of distorted corner and edge-sharing SeRh4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rh2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   6.469
_cell_length_c   8.959
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   367.117
_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
  Rh  Rh0  1  0.748  0.533  0.107  1.0
  Rh  Rh1  1  0.752  0.033  0.393  1.0
  Rh  Rh2  1  0.752  0.467  0.607  1.0
  Rh  Rh3  1  0.748  0.967  0.893  1.0
  Rh  Rh4  1  0.252  0.467  0.893  1.0
  Rh  Rh5  1  0.248  0.967  0.607  1.0
  Rh  Rh6  1  0.248  0.533  0.393  1.0
  Rh  Rh7  1  0.252  0.033  0.107  1.0
  Se  Se8  1  0.610  0.895  0.151  1.0
  Se  Se9  1  0.890  0.395  0.349  1.0
  Se  Se10  1  0.890  0.105  0.651  1.0
  Se  Se11  1  0.610  0.605  0.849  1.0
  Se  Se12  1  0.390  0.105  0.849  1.0
  Se  Se13  1  0.110  0.605  0.651  1.0
  Se  Se14  1  0.110  0.895  0.349  1.0
  Se  Se15  1  0.390  0.395  0.151  1.0
  Se  Se16  1  0.047  0.750  0.000  1.0
  Se  Se17  1  0.453  0.250  0.500  1.0
  Se  Se18  1  0.953  0.250  0.000  1.0
  Se  Se19  1  0.547  0.750  0.500  1.0
[/CIF]
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The material described by Rh2Se3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. Rh(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form a mixture of corner, face, and edge-sharing RhSe6 octahedra. The corner-sharing octahedral tilt angles range from 48-70°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to four equivalent Rh(1) atoms to form a mixture of distorted corner and edge-sharing SeRh4 tetrahedra. In the second Se site, Se(2) is bonded to four equivalent Rh(1) atoms to form a mixture of distorted corner and edge-sharing SeRh4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rh2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   6.469
_cell_length_c   8.959
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   367.117
_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
  Rh  Rh0  1  0.748  0.533  0.107  1.0
  Rh  Rh1  1  0.752  0.033  0.393  1.0
  Rh  Rh2  1  0.752  0.467  0.607  1.0
  Rh  Rh3  1  0.748  0.967  0.893  1.0
  Rh  Rh4  1  0.252  0.467  0.893  1.0
  Rh  Rh5  1  0.248  0.967  0.607  1.0
  Rh  Rh6  1  0.248  0.533  0.393  1.0
  Rh  Rh7  1  0.252  0.033  0.107  1.0
  Se  Se8  1  0.610  0.895  0.151  1.0
  Se  Se9  1  0.890  0.395  0.349  1.0
  Se  Se10  1  0.890  0.105  0.651  1.0
  Se  Se11  1  0.610  0.605  0.849  1.0
  Se  Se12  1  0.390  0.105  0.849  1.0
  Se  Se13  1  0.110  0.605  0.651  1.0
  Se  Se14  1  0.110  0.895  0.349  1.0
  Se  Se15  1  0.390  0.395  0.151  1.0
  Se  Se16  1  0.047  0.750  0.000  1.0
  Se  Se17  1  0.453  0.250  0.500  1.0
  Se  Se18  1  0.953  0.250  0.000  1.0
  Se  Se19  1  0.547  0.750  0.500  1.0
[/CIF]
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