data_La7SmMnFe7O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   7.85
_cell_angle_alpha   89.97
_cell_angle_beta   89.97
_cell_angle_gamma   89.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La7SmMnFe7O24
_chemical_formula_sum   'La7 Sm1 Mn1 Fe7 O24'
_cell_volume   483.73
_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  0.16  0.36  0.96  1.0
  La  La1  1  0.0  0.73  0.64  1.0
  La  La2  1  0.16  0.64  0.64  1.0
  La  La3  1  0.0  0.0  0.33  1.0
  La  La4  1  0.84  0.36  0.96  1.0
  La  La5  1  0.0  0.28  0.96  1.0
  La  La6  1  0.84  0.64  0.64  1.0
  Sm  Sm7  1  0.0  0.0  0.28  1.0
  Mn  Mn8  1  0.0  0.0  0.81  1.0
  Fe  Fe9  1  0.77  0.4  0.33  1.0
  Fe  Fe10  1  0.0  0.0  0.6  1.0
  Fe  Fe11  1  0.77  0.6  0.07  1.0
  Fe  Fe12  1  0.0  0.2  0.33  1.0
  Fe  Fe13  1  0.0  0.8  0.07  1.0
  Fe  Fe14  1  0.23  0.4  0.33  1.0
  Fe  Fe15  1  0.23  0.6  0.07  1.0
  O  O16  1  0.62  1.0  0.94  1.0
  O  O17  1  0.84  0.6  0.21  1.0
  O  O18  1  0.64  0.22  0.69  1.0
  O  O19  1  0.84  0.8  0.94  1.0
  O  O20  1  0.37  0.61  0.2  1.0
  O  O21  1  0.62  0.2  0.45  1.0
  O  O22  1  0.35  0.78  0.92  1.0
  O  O23  1  0.62  0.38  0.2  1.0
  O  O24  1  0.76  0.01  0.2  1.0
  O  O25  1  0.0  0.59  0.45  1.0
  O  O26  1  0.77  0.2  0.94  1.0
  O  O27  1  0.0  0.8  0.21  1.0
  O  O28  1  0.0  0.44  0.92  1.0
  O  O29  1  0.24  0.01  0.2  1.0
  O  O30  1  0.0  0.57  0.69  1.0
  O  O31  1  0.23  0.2  0.94  1.0
  O  O32  1  0.38  0.2  0.45  1.0
  O  O33  1  0.16  0.6  0.21  1.0
  O  O34  1  0.38  0.38  0.2  1.0
  O  O35  1  0.16  0.8  0.94  1.0
  O  O36  1  0.63  0.61  0.2  1.0
  O  O37  1  0.38  1.0  0.94  1.0
  O  O38  1  0.65  0.78  0.92  1.0
  O  O39  1  0.36  0.22  0.69  1.0

data_La7SmMnFe7O24
_symmetry_space_group_name_H-M   Pm
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La7SmMnFe7O24
_chemical_formula_sum   'La7 Sm1 Mn1 Fe7 O24'
_cell_volume   483.73
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.36  0.16  0.04  1.0
  La  La1  2  0.64  0.16  0.36  1.0
  La  La2  1  0.0  0.0  0.67  1.0
  La  La3  1  0.28  0.0  0.04  1.0
  La  La4  1  0.73  0.0  0.36  1.0
  Sm  Sm5  1  0.0  0.0  0.72  1.0
  Mn  Mn6  1  0.0  0.0  0.19  1.0
  Fe  Fe7  2  0.4  0.23  0.67  1.0
  Fe  Fe8  2  0.6  0.23  0.93  1.0
  Fe  Fe9  1  0.0  0.0  0.4  1.0
  Fe  Fe10  1  0.2  0.0  0.67  1.0
  Fe  Fe11  1  0.8  0.0  0.93  1.0
  O  O12  2  0.01  0.24  0.8  1.0
  O  O13  2  0.2  0.23  0.06  1.0
  O  O14  2  0.2  0.38  0.55  1.0
  O  O15  2  0.22  0.36  0.31  1.0
  O  O16  2  0.38  0.38  0.8  1.0
  O  O17  2  0.6  0.16  0.79  1.0
  O  O18  2  0.61  0.37  0.8  1.0
  O  O19  2  0.78  0.35  0.08  1.0
  O  O20  2  0.8  0.16  0.06  1.0
  O  O21  2  1.0  0.38  0.06  1.0
  O  O22  1  0.44  0.0  0.08  1.0
  O  O23  1  0.57  0.0  0.31  1.0
  O  O24  1  0.59  0.0  0.55  1.0
  O  O25  1  0.8  0.0  0.79  1.0

La La La La La La La Sm Mn Fe Fe Fe Fe Fe Fe Fe O O O O O O O O O O O O O O O O O O O O O O O O
SmLa7MnFe7O24 crystallizes in the monoclinic Pm space group. Sm(1) is bonded in a 1-coordinate geometry to one La(4), one Fe(4), one O(12), and two equivalent O(9) atoms. The Sm(1)-La(4) bond length is 0.37 Å. The Sm(1)-Fe(4) bond length is 1.60 Å. The Sm(1)-O(12) bond length is 1.67 Å. Both Sm(1)-O(9) bond lengths are 2.01 Å. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 2-coordinate geometry to one O(11), one O(13), and one O(3) atom. The La(1)-O(11) bond length is 1.39 Å. The La(1)-O(13) bond length is 1.46 Å. The La(1)-O(3) bond length is 2.81 Å. In the second La site, La(2) is bonded in a distorted single-bond geometry to one Fe(2), one O(10), and one O(14) atom. The La(2)-Fe(2) bond length is 2.18 Å. The La(2)-O(10) bond length is 1.84 Å. The La(2)-O(14) bond length is 1.31 Å. In the third La site, La(3) is bonded in a distorted single-bond geometry to one O(10), one O(14), and one O(7) atom. The La(3)-O(10) bond length is 2.02 Å. The La(3)-O(14) bond length is 1.46 Å. The La(3)-O(7) bond length is 2.85 Å. In the fourth La site, La(4) is bonded in a single-bond geometry to one Sm(1), one Fe(2), and one Fe(4) atom. The La(4)-Fe(2) bond length is 2.15 Å. The La(4)-Fe(4) bond length is 1.55 Å. In the fifth La site, La(5) is bonded in a distorted single-bond geometry to one O(13) atom. The La(5)-O(13) bond length is 1.34 Å. Mn(1) is bonded in a 3-coordinate geometry to one Fe(2) and two equivalent O(4) atoms. The Mn(1)-Fe(2) bond length is 1.61 Å. Both Mn(1)-O(4) bond lengths are 2.23 Å. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to one O(10), one O(2), one O(6), and one O(8) atom. The Fe(1)-O(10) bond length is 2.53 Å. The Fe(1)-O(2) bond length is 1.94 Å. The Fe(1)-O(6) bond length is 2.14 Å. The Fe(1)-O(8) bond length is 1.61 Å. In the second Fe site, Fe(2) is bonded in a distorted T-shaped geometry to one La(2), one La(4), and one Mn(1) atom. In the third Fe site, Fe(3) is bonded in a 2-coordinate geometry to one O(2), one O(5), and one O(7) atom. The Fe(3)-O(2) bond length is 1.20 Å. The Fe(3)-O(5) bond length is 1.50 Å. The Fe(3)-O(7) bond length is 2.04 Å. In the fourth Fe site, Fe(4) is bonded in a 2-coordinate geometry to one Sm(1) and one La(4) atom. In the fifth Fe site, Fe(5) is bonded in a 3-coordinate geometry to one O(12) and two equivalent O(4) atoms. The Fe(5)-O(12) bond length is 1.06 Å. Both Fe(5)-O(4) bond lengths are 1.60 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(11), and one O(7) atom. The O(1)-O(1) bond length is 1.85 Å. The O(1)-O(11) bond length is 1.98 Å. The O(1)-O(7) bond length is 1.76 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Fe(1) and one Fe(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one La(1) and one O(6) atom. The O(3)-O(6) bond length is 1.92 Å. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Mn(1), one Fe(5), and one O(7) atom. The O(4)-O(7) bond length is 1.53 Å. In the fifth O site, O(5) is bonded in a single-bond geometry to one Fe(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Fe(1) and one O(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one La(3), one Fe(3), one O(1), and one O(4) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Fe(1) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Sm(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(3), and two equivalent Fe(1) atoms. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one La(1) and one O(1) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Sm(1) and one Fe(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one La(5) and two equivalent La(1) atoms. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one La(2) and two equivalent La(3) atoms.