The material structure described by RbPSe3 crystallizes in the trigonal P3_121 space group. Rb(1) is bonded in a 10-coordinate geometry to three equivalent Se(1), three equivalent Se(2), and four equivalent Se(3) atoms. P(1) is bonded to one P(1), one Se(1), one Se(2), and one Se(3) atom to form distorted PPSe3 tetrahedra that share  a cornercorner with one Se(3)Rb4P trigonal bipyramid. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to three equivalent Rb(1) and one P(1) atom. In the second Se site, Se(2) is bonded in a 1-coordinate geometry to three equivalent Rb(1) and one P(1) atom. In the third Se site, Se(3) is bonded to four equivalent Rb(1) and one P(1) atom to form distorted SeRb4P trigonal bipyramids that share  a cornercorner with one P(1)PSe3 tetrahedra, corners with six equivalent Se(3)Rb4P trigonal bipyramids, and edges with three equivalent Se(3)Rb4P trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbPSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.474
_cell_length_b   7.474
_cell_length_c   19.366
_cell_angle_alpha   89.999
_cell_angle_beta   90.002
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   936.903
_cell_formula_units_Z   6
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  0.582  0.267  0.248  1.0
  Rb  Rb1  1  0.314  0.733  0.418  1.0
  Rb  Rb2  1  0.418  0.686  0.085  1.0
  Rb  Rb3  1  0.733  0.314  0.582  1.0
  Rb  Rb4  1  0.686  0.418  0.915  1.0
  Rb  Rb5  1  0.267  0.582  0.752  1.0
  P  P6  1  0.924  0.897  0.719  1.0
  P  P7  1  0.103  0.028  0.053  1.0
  P  P8  1  0.028  0.104  0.947  1.0
  P  P9  1  0.076  0.972  0.614  1.0
  P  P10  1  0.897  0.924  0.281  1.0
  P  P11  1  0.972  0.076  0.386  1.0
  Se  Se12  1  0.300  0.257  0.393  1.0
  Se  Se13  1  0.700  0.957  0.940  1.0
  Se  Se14  1  0.841  0.758  0.447  1.0
  Se  Se15  1  0.159  0.918  0.887  1.0
  Se  Se16  1  0.220  0.794  0.592  1.0
  Se  Se17  1  0.082  0.242  0.220  1.0
  Se  Se18  1  0.957  0.700  0.060  1.0
  Se  Se19  1  0.242  0.082  0.780  1.0
  Se  Se20  1  0.794  0.220  0.408  1.0
  Se  Se21  1  0.780  0.574  0.742  1.0
  Se  Se22  1  0.043  0.743  0.274  1.0
  Se  Se23  1  0.425  0.205  0.075  1.0
  Se  Se24  1  0.206  0.426  0.925  1.0
  Se  Se25  1  0.257  0.300  0.607  1.0
  Se  Se26  1  0.575  0.780  0.258  1.0
  Se  Se27  1  0.918  0.159  0.113  1.0
  Se  Se28  1  0.758  0.841  0.553  1.0
  Se  Se29  1  0.743  0.043  0.726  1.0
[/CIF]
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The material structure described by RbPSe3 crystallizes in the trigonal P3_121 space group. Rb(1) is bonded in a 10-coordinate geometry to three equivalent Se(1), three equivalent Se(2), and four equivalent Se(3) atoms. P(1) is bonded to one P(1), one Se(1), one Se(2), and one Se(3) atom to form distorted PPSe3 tetrahedra that share  a cornercorner with one Se(3)Rb4P trigonal bipyramid. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to three equivalent Rb(1) and one P(1) atom. In the second Se site, Se(2) is bonded in a 1-coordinate geometry to three equivalent Rb(1) and one P(1) atom. In the third Se site, Se(3) is bonded to four equivalent Rb(1) and one P(1) atom to form distorted SeRb4P trigonal bipyramids that share  a cornercorner with one P(1)PSe3 tetrahedra, corners with six equivalent Se(3)Rb4P trigonal bipyramids, and edges with three equivalent Se(3)Rb4P trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbPSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.474
_cell_length_b   7.474
_cell_length_c   19.366
_cell_angle_alpha   89.999
_cell_angle_beta   90.002
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   936.903
_cell_formula_units_Z   6
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  0.582  0.267  0.248  1.0
  Rb  Rb1  1  0.314  0.733  0.418  1.0
  Rb  Rb2  1  0.418  0.686  0.085  1.0
  Rb  Rb3  1  0.733  0.314  0.582  1.0
  Rb  Rb4  1  0.686  0.418  0.915  1.0
  Rb  Rb5  1  0.267  0.582  0.752  1.0
  P  P6  1  0.924  0.897  0.719  1.0
  P  P7  1  0.103  0.028  0.053  1.0
  P  P8  1  0.028  0.104  0.947  1.0
  P  P9  1  0.076  0.972  0.614  1.0
  P  P10  1  0.897  0.924  0.281  1.0
  P  P11  1  0.972  0.076  0.386  1.0
  Se  Se12  1  0.300  0.257  0.393  1.0
  Se  Se13  1  0.700  0.957  0.940  1.0
  Se  Se14  1  0.841  0.758  0.447  1.0
  Se  Se15  1  0.159  0.918  0.887  1.0
  Se  Se16  1  0.220  0.794  0.592  1.0
  Se  Se17  1  0.082  0.242  0.220  1.0
  Se  Se18  1  0.957  0.700  0.060  1.0
  Se  Se19  1  0.242  0.082  0.780  1.0
  Se  Se20  1  0.794  0.220  0.408  1.0
  Se  Se21  1  0.780  0.574  0.742  1.0
  Se  Se22  1  0.043  0.743  0.274  1.0
  Se  Se23  1  0.425  0.205  0.075  1.0
  Se  Se24  1  0.206  0.426  0.925  1.0
  Se  Se25  1  0.257  0.300  0.607  1.0
  Se  Se26  1  0.575  0.780  0.258  1.0
  Se  Se27  1  0.918  0.159  0.113  1.0
  Se  Se28  1  0.758  0.841  0.553  1.0
  Se  Se29  1  0.743  0.043  0.726  1.0
[/CIF]
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