The material described by RbBS2 crystallizes in the trigonal R-3c space group. Rb(1) is bonded to two equivalent S(1) and five equivalent S(2) atoms to form a mixture of distorted face, corner, and edge-sharing RbS7 pentagonal bipyramids. B(1) is bonded in a trigonal planar geometry to one S(2) and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Rb(1) and two equivalent B(1) atoms. In the second S site, S(2) is bonded in a distorted single-bond geometry to five equivalent Rb(1) and one B(1) atom. is represented by the CIF file [CIF]
data_RbBS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.696
_cell_length_b   9.696
_cell_length_c   9.696
_cell_angle_alpha   110.878
_cell_angle_beta   110.878
_cell_angle_gamma   110.878
_symmetry_Int_Tables_number   1
_cell_volume   662.544
_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  0.250  0.698  0.802  1.0
  Rb  Rb1  1  0.802  0.250  0.698  1.0
  Rb  Rb2  1  0.698  0.802  0.250  1.0
  Rb  Rb3  1  0.750  0.302  0.198  1.0
  Rb  Rb4  1  0.198  0.750  0.302  1.0
  Rb  Rb5  1  0.302  0.198  0.750  1.0
  B  B6  1  0.250  0.363  0.137  1.0
  B  B7  1  0.137  0.250  0.363  1.0
  B  B8  1  0.363  0.137  0.250  1.0
  B  B9  1  0.750  0.637  0.863  1.0
  B  B10  1  0.863  0.750  0.637  1.0
  B  B11  1  0.637  0.863  0.750  1.0
  S  S12  1  0.867  0.633  0.750  1.0
  S  S13  1  0.633  0.750  0.867  1.0
  S  S14  1  0.750  0.867  0.633  1.0
  S  S15  1  0.133  0.367  0.250  1.0
  S  S16  1  0.367  0.250  0.133  1.0
  S  S17  1  0.250  0.133  0.367  1.0
  S  S18  1  0.526  0.974  0.750  1.0
  S  S19  1  0.974  0.750  0.526  1.0
  S  S20  1  0.750  0.526  0.974  1.0
  S  S21  1  0.474  0.026  0.250  1.0
  S  S22  1  0.026  0.250  0.474  1.0
  S  S23  1  0.250  0.474  0.026  1.0
[/CIF]
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The material described by RbBS2 crystallizes in the trigonal R-3c space group. Rb(1) is bonded to two equivalent S(1) and five equivalent S(2) atoms to form a mixture of distorted face, corner, and edge-sharing RbS7 pentagonal bipyramids. B(1) is bonded in a trigonal planar geometry to one S(2) and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Rb(1) and two equivalent B(1) atoms. In the second S site, S(2) is bonded in a distorted single-bond geometry to five equivalent Rb(1) and one B(1) atom. is represented by the CIF file [CIF]
data_RbBS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.696
_cell_length_b   9.696
_cell_length_c   9.696
_cell_angle_alpha   110.878
_cell_angle_beta   110.878
_cell_angle_gamma   110.878
_symmetry_Int_Tables_number   1
_cell_volume   662.544
_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  0.250  0.698  0.802  1.0
  Rb  Rb1  1  0.802  0.250  0.698  1.0
  Rb  Rb2  1  0.698  0.802  0.250  1.0
  Rb  Rb3  1  0.750  0.302  0.198  1.0
  Rb  Rb4  1  0.198  0.750  0.302  1.0
  Rb  Rb5  1  0.302  0.198  0.750  1.0
  B  B6  1  0.250  0.363  0.137  1.0
  B  B7  1  0.137  0.250  0.363  1.0
  B  B8  1  0.363  0.137  0.250  1.0
  B  B9  1  0.750  0.637  0.863  1.0
  B  B10  1  0.863  0.750  0.637  1.0
  B  B11  1  0.637  0.863  0.750  1.0
  S  S12  1  0.867  0.633  0.750  1.0
  S  S13  1  0.633  0.750  0.867  1.0
  S  S14  1  0.750  0.867  0.633  1.0
  S  S15  1  0.133  0.367  0.250  1.0
  S  S16  1  0.367  0.250  0.133  1.0
  S  S17  1  0.250  0.133  0.367  1.0
  S  S18  1  0.526  0.974  0.750  1.0
  S  S19  1  0.974  0.750  0.526  1.0
  S  S20  1  0.750  0.526  0.974  1.0
  S  S21  1  0.474  0.026  0.250  1.0
  S  S22  1  0.026  0.250  0.474  1.0
  S  S23  1  0.250  0.474  0.026  1.0
[/CIF]
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