The crystal structure described by Na2Mg2Fe2Se3(SO8)3 crystallizes in the trigonal R3 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a hexagonal planar geometry to three equivalent O(5) and three equivalent O(6) atoms. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to three equivalent O(7) and three equivalent O(8) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent O(3) and three equivalent O(7) atoms to form MgO6 octahedra that share corners with three equivalent Se(1)O4 tetrahedra and corners with three equivalent S(1)O4 tetrahedra. In the second Mg site, Mg(2) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form MgO6 octahedra that share corners with three equivalent Se(1)O4 tetrahedra and corners with three equivalent S(1)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form FeO6 octahedra that share corners with three equivalent Se(1)O4 tetrahedra and corners with three equivalent S(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form FeO6 octahedra that share corners with three equivalent Se(1)O4 tetrahedra and corners with three equivalent S(1)O4 tetrahedra. Se(1) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form SeO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-44°. S(1) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-39°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(2) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Fe(1), and one Se(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Fe(2), and one S(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Mg(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Na(2), one Mg(2), and one Se(1) atom. is represented by the CIF file [CIF]
data_Na2Mg2Fe2Se3(SO8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.120
_cell_length_b   9.120
_cell_length_c   9.120
_cell_angle_alpha   57.374
_cell_angle_beta   57.374
_cell_angle_gamma   57.374
_symmetry_Int_Tables_number   1
_cell_volume   503.893
_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
  Na  Na0  1  1.000  1.000  1.000  1.0
  Na  Na1  1  0.501  0.501  0.501  1.0
  Mg  Mg2  1  0.358  0.358  0.358  1.0
  Mg  Mg3  1  0.651  0.651  0.651  1.0
  Fe  Fe4  1  0.849  0.849  0.849  1.0
  Fe  Fe5  1  0.143  0.143  0.143  1.0
  Se  Se6  1  0.249  0.959  0.541  1.0
  Se  Se7  1  0.541  0.249  0.959  1.0
  Se  Se8  1  0.959  0.541  0.249  1.0
  S  S9  1  0.755  0.041  0.456  1.0
  S  S10  1  0.456  0.755  0.041  1.0
  S  S11  1  0.041  0.456  0.755  1.0
  O  O12  1  0.812  0.001  0.604  1.0
  O  O13  1  0.604  0.812  0.001  1.0
  O  O14  1  0.001  0.604  0.812  1.0
  O  O15  1  0.192  0.988  0.379  1.0
  O  O16  1  0.379  0.192  0.988  1.0
  O  O17  1  0.988  0.379  0.192  1.0
  O  O18  1  0.526  0.246  0.149  1.0
  O  O19  1  0.149  0.526  0.246  1.0
  O  O20  1  0.246  0.149  0.526  1.0
  O  O21  1  0.485  0.734  0.879  1.0
  O  O22  1  0.879  0.485  0.734  1.0
  O  O23  1  0.734  0.879  0.485  1.0
  O  O24  1  0.092  0.890  0.750  1.0
  O  O25  1  0.750  0.092  0.890  1.0
  O  O26  1  0.890  0.750  0.092  1.0
  O  O27  1  0.904  0.085  0.270  1.0
  O  O28  1  0.270  0.904  0.085  1.0
  O  O29  1  0.085  0.270  0.904  1.0
  O  O30  1  0.458  0.582  0.207  1.0
  O  O31  1  0.207  0.458  0.582  1.0
  O  O32  1  0.582  0.207  0.458  1.0
  O  O33  1  0.524  0.453  0.788  1.0
  O  O34  1  0.788  0.524  0.453  1.0
  O  O35  1  0.453  0.788  0.524  1.0
[/CIF]
.
The crystal structure described by Na2Mg2Fe2Se3(SO8)3 crystallizes in the trigonal R3 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a hexagonal planar geometry to three equivalent O(5) and three equivalent O(6) atoms. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to three equivalent O(7) and three equivalent O(8) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent O(3) and three equivalent O(7) atoms to form MgO6 octahedra that share corners with three equivalent Se(1)O4 tetrahedra and corners with three equivalent S(1)O4 tetrahedra. In the second Mg site, Mg(2) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form MgO6 octahedra that share corners with three equivalent Se(1)O4 tetrahedra and corners with three equivalent S(1)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form FeO6 octahedra that share corners with three equivalent Se(1)O4 tetrahedra and corners with three equivalent S(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form FeO6 octahedra that share corners with three equivalent Se(1)O4 tetrahedra and corners with three equivalent S(1)O4 tetrahedra. Se(1) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form SeO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-44°. S(1) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-39°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(2) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Fe(1), and one Se(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Fe(2), and one S(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Mg(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Na(2), one Mg(2), and one Se(1) atom. is represented by the CIF file [CIF]
data_Na2Mg2Fe2Se3(SO8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.120
_cell_length_b   9.120
_cell_length_c   9.120
_cell_angle_alpha   57.374
_cell_angle_beta   57.374
_cell_angle_gamma   57.374
_symmetry_Int_Tables_number   1
_cell_volume   503.893
_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
  Na  Na0  1  1.000  1.000  1.000  1.0
  Na  Na1  1  0.501  0.501  0.501  1.0
  Mg  Mg2  1  0.358  0.358  0.358  1.0
  Mg  Mg3  1  0.651  0.651  0.651  1.0
  Fe  Fe4  1  0.849  0.849  0.849  1.0
  Fe  Fe5  1  0.143  0.143  0.143  1.0
  Se  Se6  1  0.249  0.959  0.541  1.0
  Se  Se7  1  0.541  0.249  0.959  1.0
  Se  Se8  1  0.959  0.541  0.249  1.0
  S  S9  1  0.755  0.041  0.456  1.0
  S  S10  1  0.456  0.755  0.041  1.0
  S  S11  1  0.041  0.456  0.755  1.0
  O  O12  1  0.812  0.001  0.604  1.0
  O  O13  1  0.604  0.812  0.001  1.0
  O  O14  1  0.001  0.604  0.812  1.0
  O  O15  1  0.192  0.988  0.379  1.0
  O  O16  1  0.379  0.192  0.988  1.0
  O  O17  1  0.988  0.379  0.192  1.0
  O  O18  1  0.526  0.246  0.149  1.0
  O  O19  1  0.149  0.526  0.246  1.0
  O  O20  1  0.246  0.149  0.526  1.0
  O  O21  1  0.485  0.734  0.879  1.0
  O  O22  1  0.879  0.485  0.734  1.0
  O  O23  1  0.734  0.879  0.485  1.0
  O  O24  1  0.092  0.890  0.750  1.0
  O  O25  1  0.750  0.092  0.890  1.0
  O  O26  1  0.890  0.750  0.092  1.0
  O  O27  1  0.904  0.085  0.270  1.0
  O  O28  1  0.270  0.904  0.085  1.0
  O  O29  1  0.085  0.270  0.904  1.0
  O  O30  1  0.458  0.582  0.207  1.0
  O  O31  1  0.207  0.458  0.582  1.0
  O  O32  1  0.582  0.207  0.458  1.0
  O  O33  1  0.524  0.453  0.788  1.0
  O  O34  1  0.788  0.524  0.453  1.0
  O  O35  1  0.453  0.788  0.524  1.0
[/CIF]
.