The material structure described by Rb4(BSe)9 crystallizes in the triclinic P-1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to one B(8), one Se(3), one Se(6), one Se(8), one Se(9), two equivalent Se(2), and two equivalent Se(7) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one Se(1), one Se(3), one Se(4), one Se(5), one Se(9), and two equivalent Se(8) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one Se(1), one Se(4), one Se(6), one Se(8), two equivalent Se(7), and two equivalent Se(9) atoms. In the fourth Rb site, Rb(4) is bonded in a 7-coordinate geometry to one Se(2), one Se(4), one Se(7), one Se(8), one Se(9), and two equivalent Se(5) atoms. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to one B(2), one B(3), one B(4), one B(5), one B(6), and one Se(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one B(1), one B(3), one B(4), one B(5), one B(6), and one Se(2) atom. In the third B site, B(3) is bonded in a distorted single-bond geometry to one B(1), one B(2), one B(4), one B(5), one B(6), and one Se(3) atom. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to one B(1), one B(2), one B(3), one B(5), one B(6), and one Se(4) atom. In the fifth B site, B(5) is bonded in a 6-coordinate geometry to one B(1), one B(2), one B(3), one B(4), one B(6), and one Se(5) atom. In the sixth B site, B(6) is bonded in a distorted single-bond geometry to one B(1), one B(2), one B(3), one B(4), one B(5), and one Se(6) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one Se(1), one Se(2), and one Se(7) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one Rb(1), one Se(3), one Se(4), and one Se(8) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one Se(5), one Se(6), and one Se(9) atom. There are nine inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted water-like geometry to one Rb(2), one Rb(3), one B(1), and one B(7) atom. In the second Se site, Se(2) is bonded in a distorted water-like geometry to one Rb(4), two equivalent Rb(1), one B(2), and one B(7) atom. In the third Se site, Se(3) is bonded in a distorted L-shaped geometry to one Rb(1), one Rb(2), one B(3), and one B(8) atom. In the fourth Se site, Se(4) is bonded in a distorted water-like geometry to one Rb(2), one Rb(3), one Rb(4), one B(4), and one B(8) atom. In the fifth Se site, Se(5) is bonded in a distorted water-like geometry to one Rb(2), two equivalent Rb(4), one B(5), and one B(9) atom. In the sixth Se site, Se(6) is bonded in a distorted L-shaped geometry to one Rb(1), one Rb(3), one B(6), and one B(9) atom. In the seventh Se site, Se(7) is bonded in a distorted single-bond geometry to one Rb(4), two equivalent Rb(1), two equivalent Rb(3), and one B(7) atom. In the eighth Se site, Se(8) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(3), one Rb(4), two equivalent Rb(2), and one B(8) atom. In the ninth Se site, Se(9) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), one Rb(4), two equivalent Rb(3), and one B(9) atom. is represented by the CIF card [CIF]
data_Rb4(BSe)9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.494
_cell_length_b   10.624
_cell_length_c   11.019
_cell_angle_alpha   91.387
_cell_angle_beta   104.339
_cell_angle_gamma   109.448
_symmetry_Int_Tables_number   1
_cell_volume   1114.596
_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  0.360  0.996  0.631  1.0
  Rb  Rb1  1  0.640  0.004  0.369  1.0
  Rb  Rb2  1  0.388  0.627  0.868  1.0
  Rb  Rb3  1  0.612  0.373  0.132  1.0
  Rb  Rb4  1  0.248  0.371  0.525  1.0
  Rb  Rb5  1  0.752  0.629  0.475  1.0
  Rb  Rb6  1  0.170  0.615  0.255  1.0
  Rb  Rb7  1  0.830  0.385  0.745  1.0
  B  B8  1  0.874  0.862  0.915  1.0
  B  B9  1  0.126  0.138  0.085  1.0
  B  B10  1  0.879  0.024  0.877  1.0
  B  B11  1  0.121  0.976  0.123  1.0
  B  B12  1  0.838  0.967  0.018  1.0
  B  B13  1  0.162  0.033  0.982  1.0
  B  B14  1  0.940  0.868  0.080  1.0
  B  B15  1  0.060  0.132  0.920  1.0
  B  B16  1  0.048  0.865  0.979  1.0
  B  B17  1  0.952  0.135  0.021  1.0
  B  B18  1  0.010  0.962  0.855  1.0
  B  B19  1  0.990  0.038  0.145  1.0
  B  B20  1  0.636  0.821  0.686  1.0
  B  B21  1  0.364  0.179  0.314  1.0
  B  B22  1  0.665  0.760  0.144  1.0
  B  B23  1  0.335  0.240  0.856  1.0
  B  B24  1  0.078  0.744  0.744  1.0
  B  B25  1  0.922  0.256  0.256  1.0
  Se  Se26  1  0.717  0.710  0.800  1.0
  Se  Se27  1  0.283  0.290  0.200  1.0
  Se  Se28  1  0.725  0.020  0.725  1.0
  Se  Se29  1  0.275  0.980  0.275  1.0
  Se  Se30  1  0.649  0.913  0.051  1.0
  Se  Se31  1  0.351  0.087  0.949  1.0
  Se  Se32  1  0.843  0.721  0.171  1.0
  Se  Se33  1  0.157  0.279  0.829  1.0
  Se  Se34  1  0.097  0.710  0.923  1.0
  Se  Se35  1  0.903  0.290  0.077  1.0
  Se  Se36  1  0.027  0.900  0.689  1.0
  Se  Se37  1  0.973  0.100  0.311  1.0
  Se  Se38  1  0.478  0.740  0.544  1.0
  Se  Se39  1  0.522  0.260  0.456  1.0
  Se  Se40  1  0.515  0.650  0.204  1.0
  Se  Se41  1  0.485  0.350  0.796  1.0
  Se  Se42  1  0.102  0.627  0.625  1.0
  Se  Se43  1  0.898  0.373  0.375  1.0
[/CIF]
.
The material structure described by Rb4(BSe)9 crystallizes in the triclinic P-1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to one B(8), one Se(3), one Se(6), one Se(8), one Se(9), two equivalent Se(2), and two equivalent Se(7) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one Se(1), one Se(3), one Se(4), one Se(5), one Se(9), and two equivalent Se(8) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one Se(1), one Se(4), one Se(6), one Se(8), two equivalent Se(7), and two equivalent Se(9) atoms. In the fourth Rb site, Rb(4) is bonded in a 7-coordinate geometry to one Se(2), one Se(4), one Se(7), one Se(8), one Se(9), and two equivalent Se(5) atoms. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to one B(2), one B(3), one B(4), one B(5), one B(6), and one Se(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one B(1), one B(3), one B(4), one B(5), one B(6), and one Se(2) atom. In the third B site, B(3) is bonded in a distorted single-bond geometry to one B(1), one B(2), one B(4), one B(5), one B(6), and one Se(3) atom. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to one B(1), one B(2), one B(3), one B(5), one B(6), and one Se(4) atom. In the fifth B site, B(5) is bonded in a 6-coordinate geometry to one B(1), one B(2), one B(3), one B(4), one B(6), and one Se(5) atom. In the sixth B site, B(6) is bonded in a distorted single-bond geometry to one B(1), one B(2), one B(3), one B(4), one B(5), and one Se(6) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one Se(1), one Se(2), and one Se(7) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one Rb(1), one Se(3), one Se(4), and one Se(8) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one Se(5), one Se(6), and one Se(9) atom. There are nine inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted water-like geometry to one Rb(2), one Rb(3), one B(1), and one B(7) atom. In the second Se site, Se(2) is bonded in a distorted water-like geometry to one Rb(4), two equivalent Rb(1), one B(2), and one B(7) atom. In the third Se site, Se(3) is bonded in a distorted L-shaped geometry to one Rb(1), one Rb(2), one B(3), and one B(8) atom. In the fourth Se site, Se(4) is bonded in a distorted water-like geometry to one Rb(2), one Rb(3), one Rb(4), one B(4), and one B(8) atom. In the fifth Se site, Se(5) is bonded in a distorted water-like geometry to one Rb(2), two equivalent Rb(4), one B(5), and one B(9) atom. In the sixth Se site, Se(6) is bonded in a distorted L-shaped geometry to one Rb(1), one Rb(3), one B(6), and one B(9) atom. In the seventh Se site, Se(7) is bonded in a distorted single-bond geometry to one Rb(4), two equivalent Rb(1), two equivalent Rb(3), and one B(7) atom. In the eighth Se site, Se(8) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(3), one Rb(4), two equivalent Rb(2), and one B(8) atom. In the ninth Se site, Se(9) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), one Rb(4), two equivalent Rb(3), and one B(9) atom. is represented by the CIF card [CIF]
data_Rb4(BSe)9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.494
_cell_length_b   10.624
_cell_length_c   11.019
_cell_angle_alpha   91.387
_cell_angle_beta   104.339
_cell_angle_gamma   109.448
_symmetry_Int_Tables_number   1
_cell_volume   1114.596
_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  0.360  0.996  0.631  1.0
  Rb  Rb1  1  0.640  0.004  0.369  1.0
  Rb  Rb2  1  0.388  0.627  0.868  1.0
  Rb  Rb3  1  0.612  0.373  0.132  1.0
  Rb  Rb4  1  0.248  0.371  0.525  1.0
  Rb  Rb5  1  0.752  0.629  0.475  1.0
  Rb  Rb6  1  0.170  0.615  0.255  1.0
  Rb  Rb7  1  0.830  0.385  0.745  1.0
  B  B8  1  0.874  0.862  0.915  1.0
  B  B9  1  0.126  0.138  0.085  1.0
  B  B10  1  0.879  0.024  0.877  1.0
  B  B11  1  0.121  0.976  0.123  1.0
  B  B12  1  0.838  0.967  0.018  1.0
  B  B13  1  0.162  0.033  0.982  1.0
  B  B14  1  0.940  0.868  0.080  1.0
  B  B15  1  0.060  0.132  0.920  1.0
  B  B16  1  0.048  0.865  0.979  1.0
  B  B17  1  0.952  0.135  0.021  1.0
  B  B18  1  0.010  0.962  0.855  1.0
  B  B19  1  0.990  0.038  0.145  1.0
  B  B20  1  0.636  0.821  0.686  1.0
  B  B21  1  0.364  0.179  0.314  1.0
  B  B22  1  0.665  0.760  0.144  1.0
  B  B23  1  0.335  0.240  0.856  1.0
  B  B24  1  0.078  0.744  0.744  1.0
  B  B25  1  0.922  0.256  0.256  1.0
  Se  Se26  1  0.717  0.710  0.800  1.0
  Se  Se27  1  0.283  0.290  0.200  1.0
  Se  Se28  1  0.725  0.020  0.725  1.0
  Se  Se29  1  0.275  0.980  0.275  1.0
  Se  Se30  1  0.649  0.913  0.051  1.0
  Se  Se31  1  0.351  0.087  0.949  1.0
  Se  Se32  1  0.843  0.721  0.171  1.0
  Se  Se33  1  0.157  0.279  0.829  1.0
  Se  Se34  1  0.097  0.710  0.923  1.0
  Se  Se35  1  0.903  0.290  0.077  1.0
  Se  Se36  1  0.027  0.900  0.689  1.0
  Se  Se37  1  0.973  0.100  0.311  1.0
  Se  Se38  1  0.478  0.740  0.544  1.0
  Se  Se39  1  0.522  0.260  0.456  1.0
  Se  Se40  1  0.515  0.650  0.204  1.0
  Se  Se41  1  0.485  0.350  0.796  1.0
  Se  Se42  1  0.102  0.627  0.625  1.0
  Se  Se43  1  0.898  0.373  0.375  1.0
[/CIF]
.