The material structure described by Sm2Fe2O5 crystallizes in the orthorhombic Ima2 space group. Sm(1) is bonded in a 5-coordinate geometry to one O(3), 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 two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sm(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sm(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded to two equivalent Sm(1) and two equivalent Fe(2) atoms to form corner-sharing OSm2Fe2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.682
_cell_length_b   8.682
_cell_length_c   8.682
_cell_angle_alpha   143.092
_cell_angle_beta   140.806
_cell_angle_gamma   54.928
_symmetry_Int_Tables_number   1
_cell_volume   246.596
_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
  Sm  Sm0  1  0.900  0.374  0.500  1.0
  Sm  Sm1  1  0.100  0.600  0.474  1.0
  Sm  Sm2  1  0.374  0.874  0.474  1.0
  Sm  Sm3  1  0.626  0.100  0.500  1.0
  Fe  Fe4  1  0.000  0.007  0.007  1.0
  Fe  Fe5  1  0.500  0.507  0.007  1.0
  Fe  Fe6  1  0.715  0.725  0.939  1.0
  Fe  Fe7  1  0.285  0.225  0.010  1.0
  O  O8  1  0.292  0.275  0.505  1.0
  O  O9  1  0.708  0.213  0.983  1.0
  O  O10  1  0.270  0.775  0.983  1.0
  O  O11  1  0.730  0.713  0.505  1.0
  O  O12  1  0.965  0.927  0.174  1.0
  O  O13  1  0.035  0.208  0.962  1.0
  O  O14  1  0.254  0.427  0.962  1.0
  O  O15  1  0.746  0.708  0.174  1.0
  O  O16  1  0.638  0.335  0.473  1.0
  O  O17  1  0.362  0.835  0.697  1.0
[/CIF]
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The material structure described by Sm2Fe2O5 crystallizes in the orthorhombic Ima2 space group. Sm(1) is bonded in a 5-coordinate geometry to one O(3), 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 two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sm(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sm(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded to two equivalent Sm(1) and two equivalent Fe(2) atoms to form corner-sharing OSm2Fe2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.682
_cell_length_b   8.682
_cell_length_c   8.682
_cell_angle_alpha   143.092
_cell_angle_beta   140.806
_cell_angle_gamma   54.928
_symmetry_Int_Tables_number   1
_cell_volume   246.596
_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
  Sm  Sm0  1  0.900  0.374  0.500  1.0
  Sm  Sm1  1  0.100  0.600  0.474  1.0
  Sm  Sm2  1  0.374  0.874  0.474  1.0
  Sm  Sm3  1  0.626  0.100  0.500  1.0
  Fe  Fe4  1  0.000  0.007  0.007  1.0
  Fe  Fe5  1  0.500  0.507  0.007  1.0
  Fe  Fe6  1  0.715  0.725  0.939  1.0
  Fe  Fe7  1  0.285  0.225  0.010  1.0
  O  O8  1  0.292  0.275  0.505  1.0
  O  O9  1  0.708  0.213  0.983  1.0
  O  O10  1  0.270  0.775  0.983  1.0
  O  O11  1  0.730  0.713  0.505  1.0
  O  O12  1  0.965  0.927  0.174  1.0
  O  O13  1  0.035  0.208  0.962  1.0
  O  O14  1  0.254  0.427  0.962  1.0
  O  O15  1  0.746  0.708  0.174  1.0
  O  O16  1  0.638  0.335  0.473  1.0
  O  O17  1  0.362  0.835  0.697  1.0
[/CIF]
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