The structure described by Rb2Se3 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one Se(2) and six equivalent Se(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent Se(2) and six equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Rb(1), three equivalent Rb(2), and one Se(2) atom to form a mixture of distorted edge, corner, and face-sharing SeRb6Se pentagonal bipyramids. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one Rb(1), two equivalent Rb(2), and two equivalent Se(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.763
_cell_length_b   6.763
_cell_length_c   7.982
_cell_angle_alpha   89.998
_cell_angle_beta   89.998
_cell_angle_gamma   109.380
_symmetry_Int_Tables_number   1
_cell_volume   344.375
_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  0.416  0.584  0.826  1.0
  Rb  Rb1  1  0.584  0.416  0.326  1.0
  Rb  Rb2  1  0.902  0.098  0.549  1.0
  Rb  Rb3  1  0.098  0.902  0.049  1.0
  Se  Se4  1  0.402  0.079  0.674  1.0
  Se  Se5  1  0.598  0.921  0.174  1.0
  Se  Se6  1  0.921  0.598  0.674  1.0
  Se  Se7  1  0.079  0.402  0.174  1.0
  Se  Se8  1  0.792  0.208  0.001  1.0
  Se  Se9  1  0.208  0.792  0.501  1.0
[/CIF]
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The structure described by Rb2Se3 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one Se(2) and six equivalent Se(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent Se(2) and six equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Rb(1), three equivalent Rb(2), and one Se(2) atom to form a mixture of distorted edge, corner, and face-sharing SeRb6Se pentagonal bipyramids. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one Rb(1), two equivalent Rb(2), and two equivalent Se(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.763
_cell_length_b   6.763
_cell_length_c   7.982
_cell_angle_alpha   89.998
_cell_angle_beta   89.998
_cell_angle_gamma   109.380
_symmetry_Int_Tables_number   1
_cell_volume   344.375
_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  0.416  0.584  0.826  1.0
  Rb  Rb1  1  0.584  0.416  0.326  1.0
  Rb  Rb2  1  0.902  0.098  0.549  1.0
  Rb  Rb3  1  0.098  0.902  0.049  1.0
  Se  Se4  1  0.402  0.079  0.674  1.0
  Se  Se5  1  0.598  0.921  0.174  1.0
  Se  Se6  1  0.921  0.598  0.674  1.0
  Se  Se7  1  0.079  0.402  0.174  1.0
  Se  Se8  1  0.792  0.208  0.001  1.0
  Se  Se9  1  0.208  0.792  0.501  1.0
[/CIF]
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