The structure described by RbPSe6 crystallizes in the orthorhombic Pca2_1 space group. Rb(1) is bonded in a 12-coordinate geometry to one Se(5), two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), and three equivalent Se(6) atoms. P(1) is bonded to one Se(1), one Se(2), one Se(5), and one Se(6) atom to form PSe4 tetrahedra that share  a cornercorner with one Se(4)Rb2Se2 tetrahedra. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one P(1) atom. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1), one P(1), and one Se(3) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Se(2), and one Se(4) atom. In the fourth Se site, Se(4) is bonded to two equivalent Rb(1), one Se(3), and one Se(5) atom to form distorted SeRb2Se2 tetrahedra that share  a cornercorner with one P(1)Se4 tetrahedra and corners with two equivalent Se(4)Rb2Se2 tetrahedra. In the fifth Se site, Se(5) is bonded in a distorted single-bond geometry to one Rb(1), one P(1), and one Se(4) atom. In the sixth Se site, Se(6) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one P(1) atom. is represented by the CIF card [CIF]
data_RbPSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.974
_cell_length_b   11.643
_cell_length_c   12.058
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   979.043
_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
  Rb  Rb0  1  0.685  0.629  0.370  1.0
  Rb  Rb1  1  0.315  0.129  0.630  1.0
  Rb  Rb2  1  0.315  0.629  0.870  1.0
  Rb  Rb3  1  0.685  0.129  0.130  1.0
  P  P4  1  0.282  0.816  0.168  1.0
  P  P5  1  0.282  0.316  0.332  1.0
  P  P6  1  0.718  0.816  0.668  1.0
  P  P7  1  0.718  0.316  0.832  1.0
  Se  Se8  1  0.077  0.180  0.360  1.0
  Se  Se9  1  0.077  0.680  0.140  1.0
  Se  Se10  1  0.923  0.180  0.860  1.0
  Se  Se11  1  0.923  0.680  0.640  1.0
  Se  Se12  1  0.181  0.987  0.088  1.0
  Se  Se13  1  0.819  0.487  0.912  1.0
  Se  Se14  1  0.819  0.987  0.588  1.0
  Se  Se15  1  0.181  0.487  0.412  1.0
  Se  Se16  1  0.240  0.939  0.902  1.0
  Se  Se17  1  0.760  0.439  0.098  1.0
  Se  Se18  1  0.760  0.939  0.402  1.0
  Se  Se19  1  0.240  0.439  0.598  1.0
  Se  Se20  1  0.556  0.015  0.871  1.0
  Se  Se21  1  0.444  0.515  0.129  1.0
  Se  Se22  1  0.444  0.015  0.371  1.0
  Se  Se23  1  0.556  0.515  0.629  1.0
  Se  Se24  1  0.751  0.849  0.852  1.0
  Se  Se25  1  0.249  0.349  0.148  1.0
  Se  Se26  1  0.249  0.849  0.352  1.0
  Se  Se27  1  0.751  0.349  0.648  1.0
  Se  Se28  1  0.577  0.787  0.125  1.0
  Se  Se29  1  0.423  0.287  0.875  1.0
  Se  Se30  1  0.423  0.787  0.625  1.0
  Se  Se31  1  0.577  0.287  0.375  1.0
[/CIF]
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The structure described by RbPSe6 crystallizes in the orthorhombic Pca2_1 space group. Rb(1) is bonded in a 12-coordinate geometry to one Se(5), two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), and three equivalent Se(6) atoms. P(1) is bonded to one Se(1), one Se(2), one Se(5), and one Se(6) atom to form PSe4 tetrahedra that share  a cornercorner with one Se(4)Rb2Se2 tetrahedra. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one P(1) atom. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1), one P(1), and one Se(3) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Se(2), and one Se(4) atom. In the fourth Se site, Se(4) is bonded to two equivalent Rb(1), one Se(3), and one Se(5) atom to form distorted SeRb2Se2 tetrahedra that share  a cornercorner with one P(1)Se4 tetrahedra and corners with two equivalent Se(4)Rb2Se2 tetrahedra. In the fifth Se site, Se(5) is bonded in a distorted single-bond geometry to one Rb(1), one P(1), and one Se(4) atom. In the sixth Se site, Se(6) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one P(1) atom. is represented by the CIF card [CIF]
data_RbPSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.974
_cell_length_b   11.643
_cell_length_c   12.058
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   979.043
_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
  Rb  Rb0  1  0.685  0.629  0.370  1.0
  Rb  Rb1  1  0.315  0.129  0.630  1.0
  Rb  Rb2  1  0.315  0.629  0.870  1.0
  Rb  Rb3  1  0.685  0.129  0.130  1.0
  P  P4  1  0.282  0.816  0.168  1.0
  P  P5  1  0.282  0.316  0.332  1.0
  P  P6  1  0.718  0.816  0.668  1.0
  P  P7  1  0.718  0.316  0.832  1.0
  Se  Se8  1  0.077  0.180  0.360  1.0
  Se  Se9  1  0.077  0.680  0.140  1.0
  Se  Se10  1  0.923  0.180  0.860  1.0
  Se  Se11  1  0.923  0.680  0.640  1.0
  Se  Se12  1  0.181  0.987  0.088  1.0
  Se  Se13  1  0.819  0.487  0.912  1.0
  Se  Se14  1  0.819  0.987  0.588  1.0
  Se  Se15  1  0.181  0.487  0.412  1.0
  Se  Se16  1  0.240  0.939  0.902  1.0
  Se  Se17  1  0.760  0.439  0.098  1.0
  Se  Se18  1  0.760  0.939  0.402  1.0
  Se  Se19  1  0.240  0.439  0.598  1.0
  Se  Se20  1  0.556  0.015  0.871  1.0
  Se  Se21  1  0.444  0.515  0.129  1.0
  Se  Se22  1  0.444  0.015  0.371  1.0
  Se  Se23  1  0.556  0.515  0.629  1.0
  Se  Se24  1  0.751  0.849  0.852  1.0
  Se  Se25  1  0.249  0.349  0.148  1.0
  Se  Se26  1  0.249  0.849  0.352  1.0
  Se  Se27  1  0.751  0.349  0.648  1.0
  Se  Se28  1  0.577  0.787  0.125  1.0
  Se  Se29  1  0.423  0.287  0.875  1.0
  Se  Se30  1  0.423  0.787  0.625  1.0
  Se  Se31  1  0.577  0.287  0.375  1.0
[/CIF]
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