The material structure described by Sr2MgFeO4 crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1) and four equivalent O(2) atoms to form SrO5 square pyramids that share corners with four equivalent Sr(1)O5 square pyramids,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and edges with four equivalent Sr(1)O5 square pyramids. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Mg(1) is bonded to one O(1) and four equivalent O(3) atoms to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Sr(1)O5 square pyramid and corners with four equivalent Mg(1)O5 trigonal bipyramids. Fe(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Sr(2), and one Mg(1) atom to form distorted OSr5Mg octahedra that share corners with four equivalent O(1)Sr5Mg octahedra, edges with four equivalent O(2)Sr5Fe octahedra, and edges with four equivalent O(1)Sr5Mg octahedra. The corner-sharing octahedral tilt angles are 11°. In the second O site, O(2) is bonded to one Sr(2), four equivalent Sr(1), and one Fe(1) atom to form OSr5Fe octahedra that share corners with four equivalent O(2)Sr5Fe octahedra, edges with four equivalent O(2)Sr5Fe octahedra, and edges with four equivalent O(1)Sr5Mg octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Sr2MgFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.887
_cell_length_b   3.887
_cell_length_c   9.370
_cell_angle_alpha   114.062
_cell_angle_beta   114.062
_cell_angle_gamma   90.027
_symmetry_Int_Tables_number   1
_cell_volume   115.623
_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  0.552  0.552  0.321  1.0
  Sr  Sr1  1  0.392  0.392  0.665  1.0
  Mg  Mg2  1  0.118  0.118  0.894  1.0
  Fe  Fe3  1  0.798  0.798  0.075  1.0
  O  O4  1  0.860  0.860  0.629  1.0
  O  O5  1  0.072  0.072  0.336  1.0
  O  O6  1  0.188  0.686  0.962  1.0
  O  O7  1  0.686  0.188  0.962  1.0
[/CIF]
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The material structure described by Sr2MgFeO4 crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1) and four equivalent O(2) atoms to form SrO5 square pyramids that share corners with four equivalent Sr(1)O5 square pyramids,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and edges with four equivalent Sr(1)O5 square pyramids. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Mg(1) is bonded to one O(1) and four equivalent O(3) atoms to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Sr(1)O5 square pyramid and corners with four equivalent Mg(1)O5 trigonal bipyramids. Fe(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Sr(2), and one Mg(1) atom to form distorted OSr5Mg octahedra that share corners with four equivalent O(1)Sr5Mg octahedra, edges with four equivalent O(2)Sr5Fe octahedra, and edges with four equivalent O(1)Sr5Mg octahedra. The corner-sharing octahedral tilt angles are 11°. In the second O site, O(2) is bonded to one Sr(2), four equivalent Sr(1), and one Fe(1) atom to form OSr5Fe octahedra that share corners with four equivalent O(2)Sr5Fe octahedra, edges with four equivalent O(2)Sr5Fe octahedra, and edges with four equivalent O(1)Sr5Mg octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Sr2MgFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.887
_cell_length_b   3.887
_cell_length_c   9.370
_cell_angle_alpha   114.062
_cell_angle_beta   114.062
_cell_angle_gamma   90.027
_symmetry_Int_Tables_number   1
_cell_volume   115.623
_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  0.552  0.552  0.321  1.0
  Sr  Sr1  1  0.392  0.392  0.665  1.0
  Mg  Mg2  1  0.118  0.118  0.894  1.0
  Fe  Fe3  1  0.798  0.798  0.075  1.0
  O  O4  1  0.860  0.860  0.629  1.0
  O  O5  1  0.072  0.072  0.336  1.0
  O  O6  1  0.188  0.686  0.962  1.0
  O  O7  1  0.686  0.188  0.962  1.0
[/CIF]
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