The material described by Rb3(FeSe2)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to two equivalent Se(2) and four equivalent Se(3) atoms to form distorted RbSe6 octahedra that share corners with eight equivalent Fe(1)Se4 tetrahedra, edges with two equivalent Fe(1)Se4 tetrahedra, and faces with two equivalent Rb(1)Se6 octahedra. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to two equivalent Se(1), two equivalent Se(2), and three equivalent Se(3) atoms. Fe(1) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form FeSe4 tetrahedra that share corners with four equivalent Rb(1)Se6 octahedra,  an edgeedge with one Rb(1)Se6 octahedra, and edges with two equivalent Fe(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-63°. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to four equivalent Rb(2) and two equivalent Fe(1) atoms. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to two equivalent Rb(1), four equivalent Rb(2), and two equivalent Fe(1) atoms. In the third Se site, Se(3) is bonded in a 7-coordinate geometry to two equivalent Rb(1), three equivalent Rb(2), and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Rb3(FeSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.731
_cell_length_b   11.540
_cell_length_c   12.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1119.843
_cell_formula_units_Z   4
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  0.910  0.750  0.232  1.0
  Rb  Rb1  1  0.076  0.432  0.136  1.0
  Rb  Rb2  1  0.924  0.568  0.864  1.0
  Rb  Rb3  1  0.924  0.932  0.864  1.0
  Rb  Rb4  1  0.410  0.750  0.268  1.0
  Rb  Rb5  1  0.076  0.068  0.136  1.0
  Rb  Rb6  1  0.590  0.250  0.732  1.0
  Rb  Rb7  1  0.424  0.568  0.636  1.0
  Rb  Rb8  1  0.424  0.932  0.636  1.0
  Rb  Rb9  1  0.576  0.068  0.364  1.0
  Rb  Rb10  1  0.576  0.432  0.364  1.0
  Rb  Rb11  1  0.090  0.250  0.768  1.0
  Fe  Fe12  1  0.552  0.367  0.030  1.0
  Fe  Fe13  1  0.052  0.133  0.470  1.0
  Fe  Fe14  1  0.448  0.867  0.970  1.0
  Fe  Fe15  1  0.552  0.133  0.030  1.0
  Fe  Fe16  1  0.948  0.633  0.530  1.0
  Fe  Fe17  1  0.948  0.867  0.530  1.0
  Fe  Fe18  1  0.052  0.367  0.470  1.0
  Fe  Fe19  1  0.448  0.633  0.970  1.0
  Se  Se20  1  0.585  0.750  0.834  1.0
  Se  Se21  1  0.915  0.250  0.334  1.0
  Se  Se22  1  0.415  0.250  0.166  1.0
  Se  Se23  1  0.203  0.750  0.031  1.0
  Se  Se24  1  0.085  0.750  0.666  1.0
  Se  Se25  1  0.703  0.750  0.469  1.0
  Se  Se26  1  0.797  0.250  0.969  1.0
  Se  Se27  1  0.854  0.056  0.606  1.0
  Se  Se28  1  0.146  0.556  0.394  1.0
  Se  Se29  1  0.646  0.944  0.106  1.0
  Se  Se30  1  0.354  0.056  0.894  1.0
  Se  Se31  1  0.297  0.250  0.531  1.0
  Se  Se32  1  0.354  0.444  0.894  1.0
  Se  Se33  1  0.854  0.444  0.606  1.0
  Se  Se34  1  0.646  0.556  0.106  1.0
  Se  Se35  1  0.146  0.944  0.394  1.0
[/CIF]
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The material described by Rb3(FeSe2)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to two equivalent Se(2) and four equivalent Se(3) atoms to form distorted RbSe6 octahedra that share corners with eight equivalent Fe(1)Se4 tetrahedra, edges with two equivalent Fe(1)Se4 tetrahedra, and faces with two equivalent Rb(1)Se6 octahedra. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to two equivalent Se(1), two equivalent Se(2), and three equivalent Se(3) atoms. Fe(1) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form FeSe4 tetrahedra that share corners with four equivalent Rb(1)Se6 octahedra,  an edgeedge with one Rb(1)Se6 octahedra, and edges with two equivalent Fe(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-63°. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to four equivalent Rb(2) and two equivalent Fe(1) atoms. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to two equivalent Rb(1), four equivalent Rb(2), and two equivalent Fe(1) atoms. In the third Se site, Se(3) is bonded in a 7-coordinate geometry to two equivalent Rb(1), three equivalent Rb(2), and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Rb3(FeSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.731
_cell_length_b   11.540
_cell_length_c   12.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1119.843
_cell_formula_units_Z   4
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  0.910  0.750  0.232  1.0
  Rb  Rb1  1  0.076  0.432  0.136  1.0
  Rb  Rb2  1  0.924  0.568  0.864  1.0
  Rb  Rb3  1  0.924  0.932  0.864  1.0
  Rb  Rb4  1  0.410  0.750  0.268  1.0
  Rb  Rb5  1  0.076  0.068  0.136  1.0
  Rb  Rb6  1  0.590  0.250  0.732  1.0
  Rb  Rb7  1  0.424  0.568  0.636  1.0
  Rb  Rb8  1  0.424  0.932  0.636  1.0
  Rb  Rb9  1  0.576  0.068  0.364  1.0
  Rb  Rb10  1  0.576  0.432  0.364  1.0
  Rb  Rb11  1  0.090  0.250  0.768  1.0
  Fe  Fe12  1  0.552  0.367  0.030  1.0
  Fe  Fe13  1  0.052  0.133  0.470  1.0
  Fe  Fe14  1  0.448  0.867  0.970  1.0
  Fe  Fe15  1  0.552  0.133  0.030  1.0
  Fe  Fe16  1  0.948  0.633  0.530  1.0
  Fe  Fe17  1  0.948  0.867  0.530  1.0
  Fe  Fe18  1  0.052  0.367  0.470  1.0
  Fe  Fe19  1  0.448  0.633  0.970  1.0
  Se  Se20  1  0.585  0.750  0.834  1.0
  Se  Se21  1  0.915  0.250  0.334  1.0
  Se  Se22  1  0.415  0.250  0.166  1.0
  Se  Se23  1  0.203  0.750  0.031  1.0
  Se  Se24  1  0.085  0.750  0.666  1.0
  Se  Se25  1  0.703  0.750  0.469  1.0
  Se  Se26  1  0.797  0.250  0.969  1.0
  Se  Se27  1  0.854  0.056  0.606  1.0
  Se  Se28  1  0.146  0.556  0.394  1.0
  Se  Se29  1  0.646  0.944  0.106  1.0
  Se  Se30  1  0.354  0.056  0.894  1.0
  Se  Se31  1  0.297  0.250  0.531  1.0
  Se  Se32  1  0.354  0.444  0.894  1.0
  Se  Se33  1  0.854  0.444  0.606  1.0
  Se  Se34  1  0.646  0.556  0.106  1.0
  Se  Se35  1  0.146  0.944  0.394  1.0
[/CIF]
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