The structure described by Sr4MgFe4O11 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one Mg(1), one O(1), one O(2), one O(5), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Sr(1), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 16°. In the second Fe site, Fe(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 16°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 15-22°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mg(1), one Fe(1), and one Fe(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mg(1), one Fe(1), and one Fe(3) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Fe(2), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Fe(2), and one Fe(3) atom. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Fe(3) atoms to form distorted corner-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Fe(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4MgFe4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.577
_cell_length_b   7.058
_cell_length_c   6.940
_cell_angle_alpha   106.191
_cell_angle_beta   89.864
_cell_angle_gamma   90.038
_symmetry_Int_Tables_number   1
_cell_volume   262.367
_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  0.001  0.674  0.196  1.0
  Sr  Sr1  1  1.000  0.326  0.804  1.0
  Sr  Sr2  1  0.500  1.000  0.000  1.0
  Sr  Sr3  1  0.500  0.500  0.500  1.0
  Mg  Mg4  1  1.000  1.000  0.500  1.0
  Fe  Fe5  1  0.500  1.000  0.500  1.0
  Fe  Fe6  1  0.500  0.500  1.000  1.0
  Fe  Fe7  1  1.000  0.267  0.266  1.0
  Fe  Fe8  1  1.000  0.733  0.734  1.0
  O  O9  1  0.238  0.913  0.661  1.0
  O  O10  1  0.239  0.090  0.342  1.0
  O  O11  1  0.756  0.650  0.896  1.0
  O  O12  1  0.756  0.351  0.106  1.0
  O  O13  1  0.762  0.087  0.340  1.0
  O  O14  1  0.761  0.910  0.658  1.0
  O  O15  1  0.244  0.350  0.104  1.0
  O  O16  1  0.245  0.649  0.894  1.0
  O  O17  1  0.000  0.500  0.500  1.0
  O  O18  1  0.497  0.717  0.269  1.0
  O  O19  1  0.503  0.283  0.731  1.0
[/CIF]
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The structure described by Sr4MgFe4O11 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one Mg(1), one O(1), one O(2), one O(5), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Sr(1), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 16°. In the second Fe site, Fe(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 16°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 15-22°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mg(1), one Fe(1), and one Fe(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mg(1), one Fe(1), and one Fe(3) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Fe(2), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Fe(2), and one Fe(3) atom. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Fe(3) atoms to form distorted corner-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Fe(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4MgFe4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.577
_cell_length_b   7.058
_cell_length_c   6.940
_cell_angle_alpha   106.191
_cell_angle_beta   89.864
_cell_angle_gamma   90.038
_symmetry_Int_Tables_number   1
_cell_volume   262.367
_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  0.001  0.674  0.196  1.0
  Sr  Sr1  1  1.000  0.326  0.804  1.0
  Sr  Sr2  1  0.500  1.000  0.000  1.0
  Sr  Sr3  1  0.500  0.500  0.500  1.0
  Mg  Mg4  1  1.000  1.000  0.500  1.0
  Fe  Fe5  1  0.500  1.000  0.500  1.0
  Fe  Fe6  1  0.500  0.500  1.000  1.0
  Fe  Fe7  1  1.000  0.267  0.266  1.0
  Fe  Fe8  1  1.000  0.733  0.734  1.0
  O  O9  1  0.238  0.913  0.661  1.0
  O  O10  1  0.239  0.090  0.342  1.0
  O  O11  1  0.756  0.650  0.896  1.0
  O  O12  1  0.756  0.351  0.106  1.0
  O  O13  1  0.762  0.087  0.340  1.0
  O  O14  1  0.761  0.910  0.658  1.0
  O  O15  1  0.244  0.350  0.104  1.0
  O  O16  1  0.245  0.649  0.894  1.0
  O  O17  1  0.000  0.500  0.500  1.0
  O  O18  1  0.497  0.717  0.269  1.0
  O  O19  1  0.503  0.283  0.731  1.0
[/CIF]
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