The structure described by Sr3MnFeO7 crystallizes in the tetragonal I4mm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(5) atoms. In the third Sr site, Sr(3) is bonded to four equivalent O(3), four equivalent O(4), and four equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. Mn(1) is bonded to one O(2), one O(3), and four equivalent O(5) atoms to form MnO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. Fe(1) is bonded to one O(1), one O(3), and four equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), four equivalent Sr(1), and one Fe(1) atom to form distorted OSr5Fe octahedra that share  a cornercorner with one O(3)Sr4MnFe octahedra, corners with four equivalent O(5)Sr4Mn2 octahedra, corners with four equivalent O(1)Sr5Fe octahedra, corners with eight equivalent O(4)Sr4Fe2 octahedra, edges with four equivalent O(1)Sr5Fe octahedra, edges with four equivalent O(2)Sr5Mn octahedra, and faces with four equivalent O(4)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Sr(2), and one Mn(1) atom to form distorted OSr5Mn octahedra that share  a cornercorner with one O(3)Sr4MnFe octahedra, corners with four equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(2)Sr5Mn octahedra, corners with eight equivalent O(5)Sr4Mn2 octahedra, edges with four equivalent O(1)Sr5Fe octahedra, edges with four equivalent O(2)Sr5Mn octahedra, and faces with four equivalent O(5)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to four equivalent Sr(3), one Mn(1), and one Fe(1) atom to form distorted OSr4MnFe octahedra that share  a cornercorner with one O(1)Sr5Fe octahedra,  a cornercorner with one O(2)Sr5Mn octahedra, corners with four equivalent O(3)Sr4MnFe octahedra, corners with eight equivalent O(4)Sr4Fe2 octahedra, corners with eight equivalent O(5)Sr4Mn2 octahedra, edges with four equivalent O(3)Sr4MnFe octahedra, faces with four equivalent O(4)Sr4Fe2 octahedra, and faces with four equivalent O(5)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(4)Sr4Fe2 octahedra, corners with two equivalent O(2)Sr5Mn octahedra, corners with four equivalent O(3)Sr4MnFe octahedra, corners with four equivalent O(1)Sr5Fe octahedra, corners with six equivalent O(5)Sr4Mn2 octahedra,  an edgeedge with one O(5)Sr4Mn2 octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, faces with two equivalent O(3)Sr4MnFe octahedra, faces with two equivalent O(1)Sr5Fe octahedra, and faces with four equivalent O(4)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the fifth O site, O(5) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(5)Sr4Mn2 octahedra, corners with two equivalent O(1)Sr5Fe octahedra, corners with four equivalent O(3)Sr4MnFe octahedra, corners with four equivalent O(2)Sr5Mn octahedra, corners with six equivalent O(4)Sr4Fe2 octahedra,  an edgeedge with one O(4)Sr4Fe2 octahedra, edges with two equivalent O(5)Sr4Mn2 octahedra, faces with two equivalent O(3)Sr4MnFe octahedra, faces with two equivalent O(2)Sr5Mn octahedra, and faces with four equivalent O(5)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_Sr3MnFeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.897
_cell_length_b   3.898
_cell_length_c   10.514
_cell_angle_alpha   79.318
_cell_angle_beta   79.319
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   154.124
_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
  Fe  Fe0  1  0.097  0.097  0.807  1.0
  Mn  Mn1  1  0.902  0.902  0.196  1.0
  O  O2  1  0.194  0.194  0.612  1.0
  O  O3  1  0.807  0.807  0.386  1.0
  O  O4  1  1.000  1.000  0.001  1.0
  O  O5  1  0.596  0.096  0.807  1.0
  O  O6  1  0.096  0.596  0.807  1.0
  O  O7  1  0.404  0.904  0.192  1.0
  O  O8  1  0.904  0.404  0.192  1.0
  Sr  Sr9  1  0.683  0.683  0.634  1.0
  Sr  Sr10  1  0.317  0.317  0.366  1.0
  Sr  Sr11  1  0.500  0.500  0.001  1.0
[/CIF]
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The structure described by Sr3MnFeO7 crystallizes in the tetragonal I4mm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(5) atoms. In the third Sr site, Sr(3) is bonded to four equivalent O(3), four equivalent O(4), and four equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. Mn(1) is bonded to one O(2), one O(3), and four equivalent O(5) atoms to form MnO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. Fe(1) is bonded to one O(1), one O(3), and four equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), four equivalent Sr(1), and one Fe(1) atom to form distorted OSr5Fe octahedra that share  a cornercorner with one O(3)Sr4MnFe octahedra, corners with four equivalent O(5)Sr4Mn2 octahedra, corners with four equivalent O(1)Sr5Fe octahedra, corners with eight equivalent O(4)Sr4Fe2 octahedra, edges with four equivalent O(1)Sr5Fe octahedra, edges with four equivalent O(2)Sr5Mn octahedra, and faces with four equivalent O(4)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Sr(2), and one Mn(1) atom to form distorted OSr5Mn octahedra that share  a cornercorner with one O(3)Sr4MnFe octahedra, corners with four equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(2)Sr5Mn octahedra, corners with eight equivalent O(5)Sr4Mn2 octahedra, edges with four equivalent O(1)Sr5Fe octahedra, edges with four equivalent O(2)Sr5Mn octahedra, and faces with four equivalent O(5)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to four equivalent Sr(3), one Mn(1), and one Fe(1) atom to form distorted OSr4MnFe octahedra that share  a cornercorner with one O(1)Sr5Fe octahedra,  a cornercorner with one O(2)Sr5Mn octahedra, corners with four equivalent O(3)Sr4MnFe octahedra, corners with eight equivalent O(4)Sr4Fe2 octahedra, corners with eight equivalent O(5)Sr4Mn2 octahedra, edges with four equivalent O(3)Sr4MnFe octahedra, faces with four equivalent O(4)Sr4Fe2 octahedra, and faces with four equivalent O(5)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(4)Sr4Fe2 octahedra, corners with two equivalent O(2)Sr5Mn octahedra, corners with four equivalent O(3)Sr4MnFe octahedra, corners with four equivalent O(1)Sr5Fe octahedra, corners with six equivalent O(5)Sr4Mn2 octahedra,  an edgeedge with one O(5)Sr4Mn2 octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, faces with two equivalent O(3)Sr4MnFe octahedra, faces with two equivalent O(1)Sr5Fe octahedra, and faces with four equivalent O(4)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the fifth O site, O(5) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(5)Sr4Mn2 octahedra, corners with two equivalent O(1)Sr5Fe octahedra, corners with four equivalent O(3)Sr4MnFe octahedra, corners with four equivalent O(2)Sr5Mn octahedra, corners with six equivalent O(4)Sr4Fe2 octahedra,  an edgeedge with one O(4)Sr4Fe2 octahedra, edges with two equivalent O(5)Sr4Mn2 octahedra, faces with two equivalent O(3)Sr4MnFe octahedra, faces with two equivalent O(2)Sr5Mn octahedra, and faces with four equivalent O(5)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_Sr3MnFeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.897
_cell_length_b   3.898
_cell_length_c   10.514
_cell_angle_alpha   79.318
_cell_angle_beta   79.319
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   154.124
_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
  Fe  Fe0  1  0.097  0.097  0.807  1.0
  Mn  Mn1  1  0.902  0.902  0.196  1.0
  O  O2  1  0.194  0.194  0.612  1.0
  O  O3  1  0.807  0.807  0.386  1.0
  O  O4  1  1.000  1.000  0.001  1.0
  O  O5  1  0.596  0.096  0.807  1.0
  O  O6  1  0.096  0.596  0.807  1.0
  O  O7  1  0.404  0.904  0.192  1.0
  O  O8  1  0.904  0.404  0.192  1.0
  Sr  Sr9  1  0.683  0.683  0.634  1.0
  Sr  Sr10  1  0.317  0.317  0.366  1.0
  Sr  Sr11  1  0.500  0.500  0.001  1.0
[/CIF]
.