The crystal structure described by RbFe2Se3 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent Se(2) and eight equivalent Se(1) atoms. Fe(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form a mixture of distorted edge and corner-sharing FeSe4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 2-coordinate geometry to four equivalent Rb(1) and two equivalent Fe(1) atoms. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_RbFe2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.454
_cell_length_b   7.765
_cell_length_c   7.765
_cell_angle_alpha   102.841
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.641
_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  0.750  0.666  0.334  1.0
  Rb  Rb1  1  0.250  0.334  0.666  1.0
  Fe  Fe2  1  0.000  0.131  0.131  1.0
  Fe  Fe3  1  0.500  0.869  0.869  1.0
  Fe  Fe4  1  0.000  0.869  0.869  1.0
  Fe  Fe5  1  0.500  0.131  0.131  1.0
  Se  Se6  1  0.250  0.381  0.156  1.0
  Se  Se7  1  0.750  0.619  0.844  1.0
  Se  Se8  1  0.250  0.870  0.130  1.0
  Se  Se9  1  0.750  0.130  0.870  1.0
  Se  Se10  1  0.250  0.844  0.619  1.0
  Se  Se11  1  0.750  0.156  0.381  1.0
[/CIF]
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The crystal structure described by RbFe2Se3 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent Se(2) and eight equivalent Se(1) atoms. Fe(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form a mixture of distorted edge and corner-sharing FeSe4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 2-coordinate geometry to four equivalent Rb(1) and two equivalent Fe(1) atoms. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_RbFe2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.454
_cell_length_b   7.765
_cell_length_c   7.765
_cell_angle_alpha   102.841
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.641
_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  0.750  0.666  0.334  1.0
  Rb  Rb1  1  0.250  0.334  0.666  1.0
  Fe  Fe2  1  0.000  0.131  0.131  1.0
  Fe  Fe3  1  0.500  0.869  0.869  1.0
  Fe  Fe4  1  0.000  0.869  0.869  1.0
  Fe  Fe5  1  0.500  0.131  0.131  1.0
  Se  Se6  1  0.250  0.381  0.156  1.0
  Se  Se7  1  0.750  0.619  0.844  1.0
  Se  Se8  1  0.250  0.870  0.130  1.0
  Se  Se9  1  0.750  0.130  0.870  1.0
  Se  Se10  1  0.250  0.844  0.619  1.0
  Se  Se11  1  0.750  0.156  0.381  1.0
[/CIF]
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