The crystal structure described by Sr4MgFe2(SO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one S(2) and four equivalent S(1) atoms to form distorted SrS5 trigonal bipyramids that share  a cornercorner with one Fe(2)SO5 square pyramid, corners with four equivalent Sr(1)S5 trigonal bipyramids, and edges with four equivalent Sr(1)S5 trigonal bipyramids. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to four equivalent S(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 5-coordinate geometry to one O(6) and four equivalent O(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. Mg(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one S(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form FeSO5 square pyramids that share corners with four equivalent Fe(2)SO5 square pyramids and  a cornercorner with one Sr(1)S5 trigonal bipyramid. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Mg(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Sr(1), four equivalent Sr(2), and one Fe(2) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Fe(2) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(3)Sr4Fe2 octahedra, corners with two equivalent O(5)Sr5Fe octahedra, corners with four equivalent O(6)Sr5Fe octahedra, edges with two equivalent O(3)Sr4Fe2 octahedra, faces with two equivalent O(6)Sr5Fe octahedra, and faces with four equivalent O(4)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 9-51°. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Fe(2) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(4)Sr4Fe2 octahedra, corners with two equivalent O(5)Sr5Fe octahedra, corners with four equivalent O(6)Sr5Fe octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, faces with two equivalent O(6)Sr5Fe octahedra, and faces with four equivalent O(3)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 9-51°. In the fifth O site, O(5) is bonded to one Sr(4), four equivalent Sr(3), and one Fe(1) atom to form distorted OSr5Fe octahedra that share corners with two equivalent O(3)Sr4Fe2 octahedra, corners with two equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(5)Sr5Fe octahedra, edges with four equivalent O(5)Sr5Fe octahedra, and edges with four equivalent O(6)Sr5Fe octahedra. The corner-sharing octahedral tilt angles range from 2-49°. In the sixth O site, O(6) is bonded to one Sr(3), four equivalent Sr(4), and one Fe(2) atom to form distorted OSr5Fe octahedra that share corners with four equivalent O(3)Sr4Fe2 octahedra, corners with four equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(6)Sr5Fe octahedra, edges with four equivalent O(5)Sr5Fe octahedra, edges with four equivalent O(6)Sr5Fe octahedra, faces with two equivalent O(3)Sr4Fe2 octahedra, and faces with two equivalent O(4)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 19-51°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4MgFe2(SO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.943
_cell_length_b   3.944
_cell_length_c   16.863
_cell_angle_alpha   94.922
_cell_angle_beta   85.135
_cell_angle_gamma   90.091
_symmetry_Int_Tables_number   1
_cell_volume   260.280
_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
  Sr  Sr0  1  0.497  0.000  0.044  1.0
  Sr  Sr1  1  0.213  0.288  0.818  1.0
  Sr  Sr2  1  0.846  0.655  0.442  1.0
  Sr  Sr3  1  0.288  0.212  0.606  1.0
  Mg  Mg4  1  0.918  0.581  0.245  1.0
  Fe  Fe5  1  0.389  0.111  0.325  1.0
  Fe  Fe6  1  0.754  0.747  0.701  1.0
  S  S7  1  0.974  0.523  0.102  1.0
  S  S8  1  0.693  0.808  0.882  1.0
  O  O9  1  0.899  0.101  0.297  1.0
  O  O10  1  0.399  0.601  0.297  1.0
  O  O11  1  0.251  0.750  0.710  1.0
  O  O12  1  0.751  0.250  0.709  1.0
  O  O13  1  0.347  0.153  0.439  1.0
  O  O14  1  0.798  0.703  0.578  1.0
[/CIF]
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The crystal structure described by Sr4MgFe2(SO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one S(2) and four equivalent S(1) atoms to form distorted SrS5 trigonal bipyramids that share  a cornercorner with one Fe(2)SO5 square pyramid, corners with four equivalent Sr(1)S5 trigonal bipyramids, and edges with four equivalent Sr(1)S5 trigonal bipyramids. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to four equivalent S(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 5-coordinate geometry to one O(6) and four equivalent O(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. Mg(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one S(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form FeSO5 square pyramids that share corners with four equivalent Fe(2)SO5 square pyramids and  a cornercorner with one Sr(1)S5 trigonal bipyramid. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Mg(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Sr(1), four equivalent Sr(2), and one Fe(2) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Fe(2) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(3)Sr4Fe2 octahedra, corners with two equivalent O(5)Sr5Fe octahedra, corners with four equivalent O(6)Sr5Fe octahedra, edges with two equivalent O(3)Sr4Fe2 octahedra, faces with two equivalent O(6)Sr5Fe octahedra, and faces with four equivalent O(4)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 9-51°. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Fe(2) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(4)Sr4Fe2 octahedra, corners with two equivalent O(5)Sr5Fe octahedra, corners with four equivalent O(6)Sr5Fe octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, faces with two equivalent O(6)Sr5Fe octahedra, and faces with four equivalent O(3)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 9-51°. In the fifth O site, O(5) is bonded to one Sr(4), four equivalent Sr(3), and one Fe(1) atom to form distorted OSr5Fe octahedra that share corners with two equivalent O(3)Sr4Fe2 octahedra, corners with two equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(5)Sr5Fe octahedra, edges with four equivalent O(5)Sr5Fe octahedra, and edges with four equivalent O(6)Sr5Fe octahedra. The corner-sharing octahedral tilt angles range from 2-49°. In the sixth O site, O(6) is bonded to one Sr(3), four equivalent Sr(4), and one Fe(2) atom to form distorted OSr5Fe octahedra that share corners with four equivalent O(3)Sr4Fe2 octahedra, corners with four equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(6)Sr5Fe octahedra, edges with four equivalent O(5)Sr5Fe octahedra, edges with four equivalent O(6)Sr5Fe octahedra, faces with two equivalent O(3)Sr4Fe2 octahedra, and faces with two equivalent O(4)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 19-51°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4MgFe2(SO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.943
_cell_length_b   3.944
_cell_length_c   16.863
_cell_angle_alpha   94.922
_cell_angle_beta   85.135
_cell_angle_gamma   90.091
_symmetry_Int_Tables_number   1
_cell_volume   260.280
_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
  Sr  Sr0  1  0.497  0.000  0.044  1.0
  Sr  Sr1  1  0.213  0.288  0.818  1.0
  Sr  Sr2  1  0.846  0.655  0.442  1.0
  Sr  Sr3  1  0.288  0.212  0.606  1.0
  Mg  Mg4  1  0.918  0.581  0.245  1.0
  Fe  Fe5  1  0.389  0.111  0.325  1.0
  Fe  Fe6  1  0.754  0.747  0.701  1.0
  S  S7  1  0.974  0.523  0.102  1.0
  S  S8  1  0.693  0.808  0.882  1.0
  O  O9  1  0.899  0.101  0.297  1.0
  O  O10  1  0.399  0.601  0.297  1.0
  O  O11  1  0.251  0.750  0.710  1.0
  O  O12  1  0.751  0.250  0.709  1.0
  O  O13  1  0.347  0.153  0.439  1.0
  O  O14  1  0.798  0.703  0.578  1.0
[/CIF]
.