The material described by RbLuSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Rb(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. Lu(1) is bonded to six equivalent Se(1) atoms to form edge-sharing LuSe6 octahedra. Se(1) is bonded to three equivalent Rb(1) and three equivalent Lu(1) atoms to form a mixture of corner and edge-sharing SeRb3Lu3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_RbLuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.276
_cell_length_b   8.276
_cell_length_c   8.276
_cell_angle_alpha   28.943
_cell_angle_beta   28.943
_cell_angle_gamma   28.943
_symmetry_Int_Tables_number   1
_cell_volume   117.404
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Lu  Lu1  1  0.500  0.500  0.500  1.0
  Se  Se2  1  0.230  0.230  0.230  1.0
  Se  Se3  1  0.770  0.770  0.770  1.0
[/CIF]
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The material described by RbLuSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Rb(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. Lu(1) is bonded to six equivalent Se(1) atoms to form edge-sharing LuSe6 octahedra. Se(1) is bonded to three equivalent Rb(1) and three equivalent Lu(1) atoms to form a mixture of corner and edge-sharing SeRb3Lu3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_RbLuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.276
_cell_length_b   8.276
_cell_length_c   8.276
_cell_angle_alpha   28.943
_cell_angle_beta   28.943
_cell_angle_gamma   28.943
_symmetry_Int_Tables_number   1
_cell_volume   117.404
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Lu  Lu1  1  0.500  0.500  0.500  1.0
  Se  Se2  1  0.230  0.230  0.230  1.0
  Se  Se3  1  0.770  0.770  0.770  1.0
[/CIF]
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