The structure described by Rb2Mg(FeS2)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Rb site, Rb(2) is bonded in a see-saw-like geometry to two equivalent S(1) and two equivalent S(2) atoms. Mg(1) is bonded in a distorted trigonal planar geometry to two equivalent Rb(1), one S(1), and two equivalent S(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form edge-sharing FeS4 tetrahedra. In the second Fe site, Fe(2) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form edge-sharing FeS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Rb(1), two equivalent Rb(2), one Mg(1), one Fe(1), and one Fe(2) atom to form distorted corner-sharing SRb4MgFe2 pentagonal bipyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Fe(1), and one Fe(2) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Rb(1), one Mg(1), one Fe(1), and one Fe(2) atom. is represented by the CIF card [CIF]
data_Rb2Mg(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.115
_cell_length_b   7.159
_cell_length_c   7.261
_cell_angle_alpha   119.537
_cell_angle_beta   113.376
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.102
_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  0.249  0.269  0.539  1.0
  Rb  Rb1  1  0.695  0.686  0.373  1.0
  Mg  Mg2  1  0.862  0.384  0.769  1.0
  Fe  Fe3  1  0.720  0.996  0.993  1.0
  Fe  Fe4  1  0.259  0.996  0.993  1.0
  S  S5  1  0.651  0.168  0.336  1.0
  S  S6  1  0.341  0.838  0.676  1.0
  S  S7  1  0.999  0.242  0.013  1.0
  S  S8  1  0.999  0.771  0.013  1.0
[/CIF]
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The structure described by Rb2Mg(FeS2)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Rb site, Rb(2) is bonded in a see-saw-like geometry to two equivalent S(1) and two equivalent S(2) atoms. Mg(1) is bonded in a distorted trigonal planar geometry to two equivalent Rb(1), one S(1), and two equivalent S(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form edge-sharing FeS4 tetrahedra. In the second Fe site, Fe(2) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form edge-sharing FeS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Rb(1), two equivalent Rb(2), one Mg(1), one Fe(1), and one Fe(2) atom to form distorted corner-sharing SRb4MgFe2 pentagonal bipyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Fe(1), and one Fe(2) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Rb(1), one Mg(1), one Fe(1), and one Fe(2) atom. is represented by the CIF card [CIF]
data_Rb2Mg(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.115
_cell_length_b   7.159
_cell_length_c   7.261
_cell_angle_alpha   119.537
_cell_angle_beta   113.376
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.102
_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  0.249  0.269  0.539  1.0
  Rb  Rb1  1  0.695  0.686  0.373  1.0
  Mg  Mg2  1  0.862  0.384  0.769  1.0
  Fe  Fe3  1  0.720  0.996  0.993  1.0
  Fe  Fe4  1  0.259  0.996  0.993  1.0
  S  S5  1  0.651  0.168  0.336  1.0
  S  S6  1  0.341  0.838  0.676  1.0
  S  S7  1  0.999  0.242  0.013  1.0
  S  S8  1  0.999  0.771  0.013  1.0
[/CIF]
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