The material structure described by RbPt2Se3 crystallizes in the trigonal R-3m space group. Rb(1) is bonded in a 6-coordinate geometry to three equivalent Pt(2) and three equivalent Se(1) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to six equivalent Se(1) atoms to form edge-sharing PtSe6 octahedra. In the second Pt site, Pt(2) is bonded to two equivalent Rb(1) and four equivalent Se(1) atoms to form PtRb2Se4 octahedra that share edges with two equivalent Pt(1)Se6 octahedra and edges with four equivalent Pt(2)Rb2Se4 octahedra. Se(1) is bonded in a 4-coordinate geometry to one Rb(1), one Pt(1), and two equivalent Pt(2) atoms. is represented by the CIF file [CIF]
data_RbPt2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.076
_cell_length_b   8.076
_cell_length_c   8.076
_cell_angle_alpha   54.827
_cell_angle_beta   54.827
_cell_angle_gamma   54.827
_symmetry_Int_Tables_number   1
_cell_volume   327.652
_cell_formula_units_Z   2
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
  Rb  Rb0  1  0.800  0.800  0.800  1.0
  Rb  Rb1  1  0.200  0.200  0.200  1.0
  Pt  Pt2  1  0.000  0.000  0.000  1.0
  Pt  Pt3  1  0.500  0.500  0.000  1.0
  Pt  Pt4  1  0.000  0.500  0.500  1.0
  Pt  Pt5  1  0.500  0.000  0.500  1.0
  Se  Se6  1  0.769  0.769  0.281  1.0
  Se  Se7  1  0.769  0.281  0.769  1.0
  Se  Se8  1  0.281  0.769  0.769  1.0
  Se  Se9  1  0.231  0.719  0.231  1.0
  Se  Se10  1  0.231  0.231  0.719  1.0
  Se  Se11  1  0.719  0.231  0.231  1.0
[/CIF]
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The material structure described by RbPt2Se3 crystallizes in the trigonal R-3m space group. Rb(1) is bonded in a 6-coordinate geometry to three equivalent Pt(2) and three equivalent Se(1) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to six equivalent Se(1) atoms to form edge-sharing PtSe6 octahedra. In the second Pt site, Pt(2) is bonded to two equivalent Rb(1) and four equivalent Se(1) atoms to form PtRb2Se4 octahedra that share edges with two equivalent Pt(1)Se6 octahedra and edges with four equivalent Pt(2)Rb2Se4 octahedra. Se(1) is bonded in a 4-coordinate geometry to one Rb(1), one Pt(1), and two equivalent Pt(2) atoms. is represented by the CIF file [CIF]
data_RbPt2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.076
_cell_length_b   8.076
_cell_length_c   8.076
_cell_angle_alpha   54.827
_cell_angle_beta   54.827
_cell_angle_gamma   54.827
_symmetry_Int_Tables_number   1
_cell_volume   327.652
_cell_formula_units_Z   2
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
  Rb  Rb0  1  0.800  0.800  0.800  1.0
  Rb  Rb1  1  0.200  0.200  0.200  1.0
  Pt  Pt2  1  0.000  0.000  0.000  1.0
  Pt  Pt3  1  0.500  0.500  0.000  1.0
  Pt  Pt4  1  0.000  0.500  0.500  1.0
  Pt  Pt5  1  0.500  0.000  0.500  1.0
  Se  Se6  1  0.769  0.769  0.281  1.0
  Se  Se7  1  0.769  0.281  0.769  1.0
  Se  Se8  1  0.281  0.769  0.769  1.0
  Se  Se9  1  0.231  0.719  0.231  1.0
  Se  Se10  1  0.231  0.231  0.719  1.0
  Se  Se11  1  0.719  0.231  0.231  1.0
[/CIF]
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