The material described by Sm2Fe2O5 is Aluminum carbonitride-like structured and crystallizes in the triclinic P1 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(2), and two equivalent O(5) atoms to form corner-sharing FeO5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Sm(2) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Sm(1) and two equivalent Fe(2) atoms to form distorted OSm2Fe2 trigonal pyramids that share corners with four equivalent O(4)Sm4Fe2 octahedra and corners with four equivalent O(2)Sm2Fe2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 72-76°. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Sm(2), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to two equivalent Sm(1), two equivalent Sm(2), and two equivalent Fe(1) atoms to form distorted OSm4Fe2 octahedra that share corners with two equivalent O(4)Sm4Fe2 octahedra, corners with four equivalent O(2)Sm2Fe2 trigonal pyramids, and edges with two equivalent O(4)Sm4Fe2 octahedra. The corner-sharing octahedral tilt angles are 25°. In the fifth O site, O(5) is bonded in a see-saw-like geometry to two equivalent Sm(1) and two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Sm2Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.899
_cell_length_b   4.166
_cell_length_c   8.001
_cell_angle_alpha   86.711
_cell_angle_beta   87.642
_cell_angle_gamma   89.250
_symmetry_Int_Tables_number   1
_cell_volume   129.624
_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
  Sm  Sm0  1  0.016  0.996  0.965  1.0
  Sm  Sm1  1  0.968  0.914  0.426  1.0
  Fe  Fe2  1  0.493  0.449  0.241  1.0
  Fe  Fe3  1  0.526  0.516  0.752  1.0
  O  O4  1  0.990  0.436  0.277  1.0
  O  O5  1  0.007  0.512  0.848  1.0
  O  O6  1  0.465  0.678  0.504  1.0
  O  O7  1  0.506  0.972  0.182  1.0
  O  O8  1  0.529  0.027  0.803  1.0
[/CIF]
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The material described by Sm2Fe2O5 is Aluminum carbonitride-like structured and crystallizes in the triclinic P1 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(2), and two equivalent O(5) atoms to form corner-sharing FeO5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Sm(2) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Sm(1) and two equivalent Fe(2) atoms to form distorted OSm2Fe2 trigonal pyramids that share corners with four equivalent O(4)Sm4Fe2 octahedra and corners with four equivalent O(2)Sm2Fe2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 72-76°. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Sm(2), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to two equivalent Sm(1), two equivalent Sm(2), and two equivalent Fe(1) atoms to form distorted OSm4Fe2 octahedra that share corners with two equivalent O(4)Sm4Fe2 octahedra, corners with four equivalent O(2)Sm2Fe2 trigonal pyramids, and edges with two equivalent O(4)Sm4Fe2 octahedra. The corner-sharing octahedral tilt angles are 25°. In the fifth O site, O(5) is bonded in a see-saw-like geometry to two equivalent Sm(1) and two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Sm2Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.899
_cell_length_b   4.166
_cell_length_c   8.001
_cell_angle_alpha   86.711
_cell_angle_beta   87.642
_cell_angle_gamma   89.250
_symmetry_Int_Tables_number   1
_cell_volume   129.624
_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
  Sm  Sm0  1  0.016  0.996  0.965  1.0
  Sm  Sm1  1  0.968  0.914  0.426  1.0
  Fe  Fe2  1  0.493  0.449  0.241  1.0
  Fe  Fe3  1  0.526  0.516  0.752  1.0
  O  O4  1  0.990  0.436  0.277  1.0
  O  O5  1  0.007  0.512  0.848  1.0
  O  O6  1  0.465  0.678  0.504  1.0
  O  O7  1  0.506  0.972  0.182  1.0
  O  O8  1  0.529  0.027  0.803  1.0
[/CIF]
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