The material described by NaMgFe(SO4)3 crystallizes in the monoclinic Cc space group. Na(1) is bonded in a distorted hexagonal planar geometry to one O(1), one O(11), one O(4), one O(5), one O(6), and one O(7) atom. Mg(1) is bonded to one O(12), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and corners with two equivalent S(3)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(5) atom to form FeO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and corners with two equivalent S(3)O4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), one O(4), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-38°. In the second S site, S(2) is bonded to one O(12), one O(3), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-42°. In the third S site, S(3) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-40°. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(3) atom. In the second O site, O(9) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(1) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(3) atom. In the fourth O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(3) atom. In the fifth O site, O(12) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(2) atom. In the sixth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(1) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the eighth O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(2) atom. In the ninth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(1) atom. In the tenth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(2) atom. In the eleventh O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(2) atom. In the twelfth O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(3) atom. is represented by the CIF file [CIF]
data_NaMgFe(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.628
_cell_length_b   8.628
_cell_length_c   8.937
_cell_angle_alpha   61.152
_cell_angle_beta   61.152
_cell_angle_gamma   59.814
_symmetry_Int_Tables_number   1
_cell_volume   477.797
_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
  Na  Na0  1  0.001  0.501  0.997  1.0
  Na  Na1  1  0.501  0.001  0.497  1.0
  Mg  Mg2  1  0.146  0.651  0.558  1.0
  Mg  Mg3  1  0.651  0.146  0.058  1.0
  Fe  Fe4  1  0.348  0.853  0.947  1.0
  Fe  Fe5  1  0.853  0.348  0.447  1.0
  S  S6  1  0.248  0.458  0.252  1.0
  S  S7  1  0.046  0.953  0.753  1.0
  S  S8  1  0.541  0.749  0.253  1.0
  S  S9  1  0.458  0.248  0.752  1.0
  S  S10  1  0.953  0.046  0.253  1.0
  S  S11  1  0.749  0.541  0.753  1.0
  O  O12  1  0.080  0.436  0.264  1.0
  O  O13  1  0.280  0.619  0.083  1.0
  O  O14  1  0.013  0.111  0.585  1.0
  O  O15  1  0.111  0.013  0.085  1.0
  O  O16  1  0.412  0.282  0.238  1.0
  O  O17  1  0.227  0.936  0.756  1.0
  O  O18  1  0.071  0.775  0.743  1.0
  O  O19  1  0.569  0.914  0.233  1.0
  O  O20  1  0.385  0.714  0.416  1.0
  O  O21  1  0.211  0.496  0.410  1.0
  O  O22  1  0.504  0.784  0.090  1.0
  O  O23  1  0.282  0.412  0.738  1.0
  O  O24  1  0.721  0.582  0.259  1.0
  O  O25  1  0.496  0.211  0.910  1.0
  O  O26  1  0.784  0.504  0.590  1.0
  O  O27  1  0.619  0.280  0.583  1.0
  O  O28  1  0.436  0.080  0.764  1.0
  O  O29  1  0.936  0.227  0.256  1.0
  O  O30  1  0.775  0.071  0.243  1.0
  O  O31  1  0.582  0.721  0.759  1.0
  O  O32  1  0.892  0.989  0.915  1.0
  O  O33  1  0.989  0.892  0.415  1.0
  O  O34  1  0.714  0.385  0.916  1.0
  O  O35  1  0.914  0.569  0.733  1.0
[/CIF]
.
The material described by NaMgFe(SO4)3 crystallizes in the monoclinic Cc space group. Na(1) is bonded in a distorted hexagonal planar geometry to one O(1), one O(11), one O(4), one O(5), one O(6), and one O(7) atom. Mg(1) is bonded to one O(12), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and corners with two equivalent S(3)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(5) atom to form FeO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and corners with two equivalent S(3)O4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), one O(4), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-38°. In the second S site, S(2) is bonded to one O(12), one O(3), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-42°. In the third S site, S(3) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-40°. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(3) atom. In the second O site, O(9) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(1) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(3) atom. In the fourth O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(3) atom. In the fifth O site, O(12) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(2) atom. In the sixth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(1) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the eighth O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(2) atom. In the ninth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(1) atom. In the tenth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(2) atom. In the eleventh O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(2) atom. In the twelfth O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(3) atom. is represented by the CIF file [CIF]
data_NaMgFe(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.628
_cell_length_b   8.628
_cell_length_c   8.937
_cell_angle_alpha   61.152
_cell_angle_beta   61.152
_cell_angle_gamma   59.814
_symmetry_Int_Tables_number   1
_cell_volume   477.797
_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
  Na  Na0  1  0.001  0.501  0.997  1.0
  Na  Na1  1  0.501  0.001  0.497  1.0
  Mg  Mg2  1  0.146  0.651  0.558  1.0
  Mg  Mg3  1  0.651  0.146  0.058  1.0
  Fe  Fe4  1  0.348  0.853  0.947  1.0
  Fe  Fe5  1  0.853  0.348  0.447  1.0
  S  S6  1  0.248  0.458  0.252  1.0
  S  S7  1  0.046  0.953  0.753  1.0
  S  S8  1  0.541  0.749  0.253  1.0
  S  S9  1  0.458  0.248  0.752  1.0
  S  S10  1  0.953  0.046  0.253  1.0
  S  S11  1  0.749  0.541  0.753  1.0
  O  O12  1  0.080  0.436  0.264  1.0
  O  O13  1  0.280  0.619  0.083  1.0
  O  O14  1  0.013  0.111  0.585  1.0
  O  O15  1  0.111  0.013  0.085  1.0
  O  O16  1  0.412  0.282  0.238  1.0
  O  O17  1  0.227  0.936  0.756  1.0
  O  O18  1  0.071  0.775  0.743  1.0
  O  O19  1  0.569  0.914  0.233  1.0
  O  O20  1  0.385  0.714  0.416  1.0
  O  O21  1  0.211  0.496  0.410  1.0
  O  O22  1  0.504  0.784  0.090  1.0
  O  O23  1  0.282  0.412  0.738  1.0
  O  O24  1  0.721  0.582  0.259  1.0
  O  O25  1  0.496  0.211  0.910  1.0
  O  O26  1  0.784  0.504  0.590  1.0
  O  O27  1  0.619  0.280  0.583  1.0
  O  O28  1  0.436  0.080  0.764  1.0
  O  O29  1  0.936  0.227  0.256  1.0
  O  O30  1  0.775  0.071  0.243  1.0
  O  O31  1  0.582  0.721  0.759  1.0
  O  O32  1  0.892  0.989  0.915  1.0
  O  O33  1  0.989  0.892  0.415  1.0
  O  O34  1  0.714  0.385  0.916  1.0
  O  O35  1  0.914  0.569  0.733  1.0
[/CIF]
.