The material structure described by Rb2Mg(FeS2)2 crystallizes in the orthorhombic Imm2 space group. Rb(1) is bonded in a 6-coordinate geometry to one S(2), two equivalent S(3), and three equivalent S(1) atoms. Mg(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent S(1), and two equivalent S(2) atoms. Fe(1) is bonded to one Mg(1), one S(2), one S(3), and two equivalent S(1) atoms to form distorted FeMgS4 tetrahedra that share corners with two equivalent S(2)Rb2Mg2Fe2 pentagonal pyramids,  an edgeedge with one Fe(1)MgS4 tetrahedra, and  a faceface with one Fe(1)MgS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Rb(1), one Mg(1), and two equivalent Fe(1) atoms. In the second S site, S(2) is bonded to two equivalent Rb(1), two equivalent Mg(1), and two equivalent Fe(1) atoms to form distorted SRb2Mg2Fe2 pentagonal pyramids that share corners with two equivalent S(2)Rb2Mg2Fe2 pentagonal pyramids and corners with four equivalent Fe(1)MgS4 tetrahedra. In the third S site, S(3) is bonded in a 6-coordinate geometry to four equivalent Rb(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Rb2Mg(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   9.003
_cell_length_c   7.744
_cell_angle_alpha   125.544
_cell_angle_beta   109.216
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.468
_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  0.297  0.439  0.593  1.0
  Rb  Rb1  1  0.703  0.846  0.407  1.0
  Mg  Mg2  1  0.500  0.225  0.000  1.0
  Fe  Fe3  1  0.753  0.963  0.000  1.0
  Fe  Fe4  1  0.247  0.963  0.000  1.0
  S  S5  1  0.651  0.149  0.302  1.0
  S  S6  1  0.349  0.847  0.698  1.0
  S  S7  1  0.000  0.173  0.000  1.0
  S  S8  1  0.000  0.774  0.000  1.0
[/CIF]
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The material structure described by Rb2Mg(FeS2)2 crystallizes in the orthorhombic Imm2 space group. Rb(1) is bonded in a 6-coordinate geometry to one S(2), two equivalent S(3), and three equivalent S(1) atoms. Mg(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent S(1), and two equivalent S(2) atoms. Fe(1) is bonded to one Mg(1), one S(2), one S(3), and two equivalent S(1) atoms to form distorted FeMgS4 tetrahedra that share corners with two equivalent S(2)Rb2Mg2Fe2 pentagonal pyramids,  an edgeedge with one Fe(1)MgS4 tetrahedra, and  a faceface with one Fe(1)MgS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Rb(1), one Mg(1), and two equivalent Fe(1) atoms. In the second S site, S(2) is bonded to two equivalent Rb(1), two equivalent Mg(1), and two equivalent Fe(1) atoms to form distorted SRb2Mg2Fe2 pentagonal pyramids that share corners with two equivalent S(2)Rb2Mg2Fe2 pentagonal pyramids and corners with four equivalent Fe(1)MgS4 tetrahedra. In the third S site, S(3) is bonded in a 6-coordinate geometry to four equivalent Rb(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Rb2Mg(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   9.003
_cell_length_c   7.744
_cell_angle_alpha   125.544
_cell_angle_beta   109.216
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.468
_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  0.297  0.439  0.593  1.0
  Rb  Rb1  1  0.703  0.846  0.407  1.0
  Mg  Mg2  1  0.500  0.225  0.000  1.0
  Fe  Fe3  1  0.753  0.963  0.000  1.0
  Fe  Fe4  1  0.247  0.963  0.000  1.0
  S  S5  1  0.651  0.149  0.302  1.0
  S  S6  1  0.349  0.847  0.698  1.0
  S  S7  1  0.000  0.173  0.000  1.0
  S  S8  1  0.000  0.774  0.000  1.0
[/CIF]
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