The structure described by Sm3La(FeO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. La(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 28-34°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(3), one La(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one La(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sm(2), one Sm(3), one La(1), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Sm(1), one La(1), and two equivalent Fe(1) atoms to form distorted OLaSmFe2 tetrahedra that share corners with two equivalent O(6)LaSmFe2 tetrahedra and corners with two equivalent O(7)Sm2Fe2 tetrahedra. In the sixth O site, O(6) is bonded to one Sm(1), one La(1), and two equivalent Fe(2) atoms to form distorted OLaSmFe2 tetrahedra that share corners with two equivalent O(5)LaSmFe2 tetrahedra and corners with two equivalent O(8)Sm2Fe2 tetrahedra. In the seventh O site, O(7) is bonded to one Sm(2), one Sm(3), and two equivalent Fe(1) atoms to form distorted OSm2Fe2 tetrahedra that share corners with two equivalent O(5)LaSmFe2 tetrahedra and corners with two equivalent O(8)Sm2Fe2 tetrahedra. In the eighth O site, O(8) is bonded to one Sm(2), one Sm(3), and two equivalent Fe(2) atoms to form distorted OSm2Fe2 tetrahedra that share corners with two equivalent O(6)LaSmFe2 tetrahedra and corners with two equivalent O(7)Sm2Fe2 tetrahedra. is represented by the CIF card [CIF]
data_LaSm3(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.825
_cell_length_b   5.476
_cell_length_c   5.696
_cell_angle_alpha   89.939
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.074
_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
  La  La0  1  0.500  0.488  0.551  1.0
  Sm  Sm1  1  0.500  0.015  0.060  1.0
  Sm  Sm2  1  0.000  0.515  0.436  1.0
  Sm  Sm3  1  0.000  0.986  0.940  1.0
  Fe  Fe4  1  0.248  0.499  0.998  1.0
  Fe  Fe5  1  0.753  0.001  0.500  1.0
  Fe  Fe6  1  0.752  0.499  0.998  1.0
  Fe  Fe7  1  0.247  0.001  0.500  1.0
  O  O8  1  0.299  0.194  0.805  1.0
  O  O9  1  0.704  0.298  0.297  1.0
  O  O10  1  0.804  0.799  0.201  1.0
  O  O11  1  0.195  0.698  0.699  1.0
  O  O12  1  0.196  0.799  0.201  1.0
  O  O13  1  0.805  0.698  0.699  1.0
  O  O14  1  0.701  0.194  0.805  1.0
  O  O15  1  0.296  0.298  0.297  1.0
  O  O16  1  0.500  0.600  0.976  1.0
  O  O17  1  0.500  0.916  0.468  1.0
  O  O18  1  0.000  0.399  0.032  1.0
  O  O19  1  0.000  0.103  0.536  1.0
[/CIF]
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The structure described by Sm3La(FeO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. La(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 28-34°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(3), one La(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one La(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sm(2), one Sm(3), one La(1), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Sm(1), one La(1), and two equivalent Fe(1) atoms to form distorted OLaSmFe2 tetrahedra that share corners with two equivalent O(6)LaSmFe2 tetrahedra and corners with two equivalent O(7)Sm2Fe2 tetrahedra. In the sixth O site, O(6) is bonded to one Sm(1), one La(1), and two equivalent Fe(2) atoms to form distorted OLaSmFe2 tetrahedra that share corners with two equivalent O(5)LaSmFe2 tetrahedra and corners with two equivalent O(8)Sm2Fe2 tetrahedra. In the seventh O site, O(7) is bonded to one Sm(2), one Sm(3), and two equivalent Fe(1) atoms to form distorted OSm2Fe2 tetrahedra that share corners with two equivalent O(5)LaSmFe2 tetrahedra and corners with two equivalent O(8)Sm2Fe2 tetrahedra. In the eighth O site, O(8) is bonded to one Sm(2), one Sm(3), and two equivalent Fe(2) atoms to form distorted OSm2Fe2 tetrahedra that share corners with two equivalent O(6)LaSmFe2 tetrahedra and corners with two equivalent O(7)Sm2Fe2 tetrahedra. is represented by the CIF card [CIF]
data_LaSm3(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.825
_cell_length_b   5.476
_cell_length_c   5.696
_cell_angle_alpha   89.939
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.074
_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
  La  La0  1  0.500  0.488  0.551  1.0
  Sm  Sm1  1  0.500  0.015  0.060  1.0
  Sm  Sm2  1  0.000  0.515  0.436  1.0
  Sm  Sm3  1  0.000  0.986  0.940  1.0
  Fe  Fe4  1  0.248  0.499  0.998  1.0
  Fe  Fe5  1  0.753  0.001  0.500  1.0
  Fe  Fe6  1  0.752  0.499  0.998  1.0
  Fe  Fe7  1  0.247  0.001  0.500  1.0
  O  O8  1  0.299  0.194  0.805  1.0
  O  O9  1  0.704  0.298  0.297  1.0
  O  O10  1  0.804  0.799  0.201  1.0
  O  O11  1  0.195  0.698  0.699  1.0
  O  O12  1  0.196  0.799  0.201  1.0
  O  O13  1  0.805  0.698  0.699  1.0
  O  O14  1  0.701  0.194  0.805  1.0
  O  O15  1  0.296  0.298  0.297  1.0
  O  O16  1  0.500  0.600  0.976  1.0
  O  O17  1  0.500  0.916  0.468  1.0
  O  O18  1  0.000  0.399  0.032  1.0
  O  O19  1  0.000  0.103  0.536  1.0
[/CIF]
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