The compound described by RbSe is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to two equivalent Se(2) and four equivalent Se(1) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to two equivalent Se(2) and four equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded to three equivalent Rb(1), three equivalent Rb(2), and one Se(2) atom to form a mixture of distorted corner, face, and edge-sharing SeRb6Se pentagonal bipyramids. In the second Se site, Se(1) is bonded to three equivalent Rb(1), three equivalent Rb(2), and one Se(1) atom to form a mixture of distorted corner, face, and edge-sharing SeRb6Se pentagonal bipyramids. is represented by the CIF file [CIF]
data_RbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.356
_cell_length_b   9.356
_cell_length_c   6.242
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   473.247
_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  0.000  0.314  0.500  1.0
  Rb  Rb1  1  0.686  0.686  0.500  1.0
  Rb  Rb2  1  0.314  0.000  0.500  1.0
  Rb  Rb3  1  0.000  0.649  0.000  1.0
  Rb  Rb4  1  0.351  0.351  0.000  1.0
  Rb  Rb5  1  0.649  0.000  0.000  1.0
  Se  Se6  1  0.667  0.333  0.306  1.0
  Se  Se7  1  0.667  0.333  0.694  1.0
  Se  Se8  1  0.333  0.667  0.694  1.0
  Se  Se9  1  0.333  0.667  0.306  1.0
  Se  Se10  1  0.000  0.000  0.807  1.0
  Se  Se11  1  0.000  0.000  0.193  1.0
[/CIF]
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The compound described by RbSe is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to two equivalent Se(2) and four equivalent Se(1) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to two equivalent Se(2) and four equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded to three equivalent Rb(1), three equivalent Rb(2), and one Se(2) atom to form a mixture of distorted corner, face, and edge-sharing SeRb6Se pentagonal bipyramids. In the second Se site, Se(1) is bonded to three equivalent Rb(1), three equivalent Rb(2), and one Se(1) atom to form a mixture of distorted corner, face, and edge-sharing SeRb6Se pentagonal bipyramids. is represented by the CIF file [CIF]
data_RbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.356
_cell_length_b   9.356
_cell_length_c   6.242
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   473.247
_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  0.000  0.314  0.500  1.0
  Rb  Rb1  1  0.686  0.686  0.500  1.0
  Rb  Rb2  1  0.314  0.000  0.500  1.0
  Rb  Rb3  1  0.000  0.649  0.000  1.0
  Rb  Rb4  1  0.351  0.351  0.000  1.0
  Rb  Rb5  1  0.649  0.000  0.000  1.0
  Se  Se6  1  0.667  0.333  0.306  1.0
  Se  Se7  1  0.667  0.333  0.694  1.0
  Se  Se8  1  0.333  0.667  0.694  1.0
  Se  Se9  1  0.333  0.667  0.306  1.0
  Se  Se10  1  0.000  0.000  0.807  1.0
  Se  Se11  1  0.000  0.000  0.193  1.0
[/CIF]
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