The material described by Rb2B2Se7 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded in a 9-coordinate geometry to one Se(4), two equivalent Se(2), three equivalent Se(1), and three equivalent Se(3) atoms. B(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form corner-sharing BSe4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one B(1) atom. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one B(1) atom. In the third Se site, Se(3) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one B(1) atom. In the fourth Se site, Se(4) is bonded in a distorted water-like geometry to two equivalent Rb(1) and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Rb2B2Se7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.852
_cell_length_b   8.852
_cell_length_c   12.748
_cell_angle_alpha   60.706
_cell_angle_beta   60.705
_cell_angle_gamma   49.194
_symmetry_Int_Tables_number   1
_cell_volume   637.312
_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  0.122  0.673  0.522  1.0
  Rb  Rb1  1  0.327  0.878  0.978  1.0
  Rb  Rb2  1  0.878  0.327  0.478  1.0
  Rb  Rb3  1  0.673  0.122  0.022  1.0
  B  B4  1  0.614  0.155  0.349  1.0
  B  B5  1  0.845  0.386  0.151  1.0
  B  B6  1  0.386  0.845  0.651  1.0
  B  B7  1  0.155  0.614  0.849  1.0
  Se  Se8  1  0.164  0.572  0.019  1.0
  Se  Se9  1  0.428  0.836  0.481  1.0
  Se  Se10  1  0.836  0.428  0.981  1.0
  Se  Se11  1  0.572  0.164  0.519  1.0
  Se  Se12  1  0.152  0.395  0.836  1.0
  Se  Se13  1  0.605  0.848  0.664  1.0
  Se  Se14  1  0.848  0.605  0.164  1.0
  Se  Se15  1  0.395  0.152  0.336  1.0
  Se  Se16  1  0.936  0.902  0.770  1.0
  Se  Se17  1  0.098  0.064  0.730  1.0
  Se  Se18  1  0.064  0.098  0.230  1.0
  Se  Se19  1  0.902  0.936  0.270  1.0
  Se  Se20  1  0.450  0.550  0.750  1.0
  Se  Se21  1  0.550  0.450  0.250  1.0
[/CIF]
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The material described by Rb2B2Se7 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded in a 9-coordinate geometry to one Se(4), two equivalent Se(2), three equivalent Se(1), and three equivalent Se(3) atoms. B(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form corner-sharing BSe4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one B(1) atom. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one B(1) atom. In the third Se site, Se(3) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one B(1) atom. In the fourth Se site, Se(4) is bonded in a distorted water-like geometry to two equivalent Rb(1) and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Rb2B2Se7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.852
_cell_length_b   8.852
_cell_length_c   12.748
_cell_angle_alpha   60.706
_cell_angle_beta   60.705
_cell_angle_gamma   49.194
_symmetry_Int_Tables_number   1
_cell_volume   637.312
_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  0.122  0.673  0.522  1.0
  Rb  Rb1  1  0.327  0.878  0.978  1.0
  Rb  Rb2  1  0.878  0.327  0.478  1.0
  Rb  Rb3  1  0.673  0.122  0.022  1.0
  B  B4  1  0.614  0.155  0.349  1.0
  B  B5  1  0.845  0.386  0.151  1.0
  B  B6  1  0.386  0.845  0.651  1.0
  B  B7  1  0.155  0.614  0.849  1.0
  Se  Se8  1  0.164  0.572  0.019  1.0
  Se  Se9  1  0.428  0.836  0.481  1.0
  Se  Se10  1  0.836  0.428  0.981  1.0
  Se  Se11  1  0.572  0.164  0.519  1.0
  Se  Se12  1  0.152  0.395  0.836  1.0
  Se  Se13  1  0.605  0.848  0.664  1.0
  Se  Se14  1  0.848  0.605  0.164  1.0
  Se  Se15  1  0.395  0.152  0.336  1.0
  Se  Se16  1  0.936  0.902  0.770  1.0
  Se  Se17  1  0.098  0.064  0.730  1.0
  Se  Se18  1  0.064  0.098  0.230  1.0
  Se  Se19  1  0.902  0.936  0.270  1.0
  Se  Se20  1  0.450  0.550  0.750  1.0
  Se  Se21  1  0.550  0.450  0.250  1.0
[/CIF]
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