The material described by La5Fe4NiO15 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(1), and two equivalent O(2) atoms. In the second La site, La(2) is bonded in a 5-coordinate geometry to one O(9), two equivalent O(1), and two equivalent O(2) atoms. In the third La site, La(3) is bonded in a 5-coordinate geometry to one O(8) and four equivalent O(3) atoms. In the fourth La site, La(4) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(4), and two equivalent O(5) atoms. In the fifth La site, La(5) is bonded in a 5-coordinate geometry to one O(10), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. In the second Fe site, Fe(2) is bonded to two equivalent O(9) and four equivalent O(3) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 23-29°. In the third Fe site, Fe(3) is bonded to two equivalent O(6) and four equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-27°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. In the fifth Fe site, Fe(5) is bonded to one O(8), one O(9), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. Ni(1) is bonded to one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra and corners with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Fe(1), and one Fe(5) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(3), one Fe(2), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(4), one La(5), one Fe(3), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(4), one La(5), one Fe(4), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(4), one Fe(3), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(1), one Fe(4), and one Ni(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(3), one Fe(1), and one Fe(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one La(2), one Fe(2), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one La(5), one Fe(1), and one Fe(4) atom. is represented by the CIF card [CIF]
data_La5Fe4NiO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.603
_cell_length_b   5.603
_cell_length_c   23.182
_cell_angle_alpha   83.105
_cell_angle_beta   83.105
_cell_angle_gamma   59.428
_symmetry_Int_Tables_number   1
_cell_volume   620.547
_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
  La  La0  1  0.747  0.747  0.749  1.0
  La  La1  1  0.945  0.945  0.153  1.0
  La  La2  1  0.346  0.346  0.952  1.0
  La  La3  1  0.147  0.147  0.551  1.0
  La  La4  1  0.546  0.546  0.355  1.0
  La  La5  1  0.454  0.454  0.645  1.0
  La  La6  1  0.654  0.654  0.048  1.0
  La  La7  1  0.055  0.055  0.847  1.0
  La  La8  1  0.853  0.853  0.449  1.0
  La  La9  1  0.253  0.253  0.251  1.0
  Fe  Fe10  1  0.600  0.600  0.201  1.0
  Fe  Fe11  1  0.000  0.000  0.000  1.0
  Fe  Fe12  1  0.400  0.400  0.799  1.0
  Fe  Fe13  1  0.500  0.500  0.500  1.0
  Fe  Fe14  1  0.900  0.900  0.301  1.0
  Fe  Fe15  1  0.300  0.300  0.101  1.0
  Fe  Fe16  1  0.700  0.700  0.899  1.0
  Fe  Fe17  1  0.100  0.100  0.699  1.0
  Ni  Ni18  1  0.800  0.800  0.600  1.0
  Ni  Ni19  1  0.200  0.200  0.400  1.0
  O  O20  1  0.279  0.781  0.760  1.0
  O  O21  1  0.480  0.979  0.160  1.0
  O  O22  1  0.880  0.381  0.960  1.0
  O  O23  1  0.680  0.180  0.558  1.0
  O  O24  1  0.080  0.580  0.359  1.0
  O  O25  1  0.420  0.920  0.641  1.0
  O  O26  1  0.619  0.120  0.040  1.0
  O  O27  1  0.021  0.520  0.840  1.0
  O  O28  1  0.820  0.320  0.442  1.0
  O  O29  1  0.219  0.721  0.240  1.0
  O  O30  1  0.920  0.420  0.641  1.0
  O  O31  1  0.120  0.619  0.040  1.0
  O  O32  1  0.520  0.021  0.840  1.0
  O  O33  1  0.320  0.820  0.442  1.0
  O  O34  1  0.721  0.219  0.240  1.0
  O  O35  1  0.781  0.279  0.760  1.0
  O  O36  1  0.979  0.480  0.160  1.0
  O  O37  1  0.381  0.880  0.960  1.0
  O  O38  1  0.180  0.680  0.558  1.0
  O  O39  1  0.580  0.080  0.359  1.0
  O  O40  1  0.680  0.680  0.532  1.0
  O  O41  1  0.082  0.082  0.332  1.0
  O  O42  1  0.486  0.486  0.132  1.0
  O  O43  1  0.887  0.887  0.932  1.0
  O  O44  1  0.287  0.287  0.732  1.0
  O  O45  1  0.320  0.320  0.468  1.0
  O  O46  1  0.713  0.713  0.268  1.0
  O  O47  1  0.113  0.113  0.068  1.0
  O  O48  1  0.514  0.514  0.868  1.0
  O  O49  1  0.918  0.918  0.668  1.0
[/CIF]
.
The material described by La5Fe4NiO15 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(1), and two equivalent O(2) atoms. In the second La site, La(2) is bonded in a 5-coordinate geometry to one O(9), two equivalent O(1), and two equivalent O(2) atoms. In the third La site, La(3) is bonded in a 5-coordinate geometry to one O(8) and four equivalent O(3) atoms. In the fourth La site, La(4) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(4), and two equivalent O(5) atoms. In the fifth La site, La(5) is bonded in a 5-coordinate geometry to one O(10), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. In the second Fe site, Fe(2) is bonded to two equivalent O(9) and four equivalent O(3) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 23-29°. In the third Fe site, Fe(3) is bonded to two equivalent O(6) and four equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-27°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. In the fifth Fe site, Fe(5) is bonded to one O(8), one O(9), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. Ni(1) is bonded to one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra and corners with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Fe(1), and one Fe(5) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(3), one Fe(2), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(4), one La(5), one Fe(3), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(4), one La(5), one Fe(4), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(4), one Fe(3), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(1), one Fe(4), and one Ni(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(3), one Fe(1), and one Fe(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one La(2), one Fe(2), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one La(5), one Fe(1), and one Fe(4) atom. is represented by the CIF card [CIF]
data_La5Fe4NiO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.603
_cell_length_b   5.603
_cell_length_c   23.182
_cell_angle_alpha   83.105
_cell_angle_beta   83.105
_cell_angle_gamma   59.428
_symmetry_Int_Tables_number   1
_cell_volume   620.547
_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
  La  La0  1  0.747  0.747  0.749  1.0
  La  La1  1  0.945  0.945  0.153  1.0
  La  La2  1  0.346  0.346  0.952  1.0
  La  La3  1  0.147  0.147  0.551  1.0
  La  La4  1  0.546  0.546  0.355  1.0
  La  La5  1  0.454  0.454  0.645  1.0
  La  La6  1  0.654  0.654  0.048  1.0
  La  La7  1  0.055  0.055  0.847  1.0
  La  La8  1  0.853  0.853  0.449  1.0
  La  La9  1  0.253  0.253  0.251  1.0
  Fe  Fe10  1  0.600  0.600  0.201  1.0
  Fe  Fe11  1  0.000  0.000  0.000  1.0
  Fe  Fe12  1  0.400  0.400  0.799  1.0
  Fe  Fe13  1  0.500  0.500  0.500  1.0
  Fe  Fe14  1  0.900  0.900  0.301  1.0
  Fe  Fe15  1  0.300  0.300  0.101  1.0
  Fe  Fe16  1  0.700  0.700  0.899  1.0
  Fe  Fe17  1  0.100  0.100  0.699  1.0
  Ni  Ni18  1  0.800  0.800  0.600  1.0
  Ni  Ni19  1  0.200  0.200  0.400  1.0
  O  O20  1  0.279  0.781  0.760  1.0
  O  O21  1  0.480  0.979  0.160  1.0
  O  O22  1  0.880  0.381  0.960  1.0
  O  O23  1  0.680  0.180  0.558  1.0
  O  O24  1  0.080  0.580  0.359  1.0
  O  O25  1  0.420  0.920  0.641  1.0
  O  O26  1  0.619  0.120  0.040  1.0
  O  O27  1  0.021  0.520  0.840  1.0
  O  O28  1  0.820  0.320  0.442  1.0
  O  O29  1  0.219  0.721  0.240  1.0
  O  O30  1  0.920  0.420  0.641  1.0
  O  O31  1  0.120  0.619  0.040  1.0
  O  O32  1  0.520  0.021  0.840  1.0
  O  O33  1  0.320  0.820  0.442  1.0
  O  O34  1  0.721  0.219  0.240  1.0
  O  O35  1  0.781  0.279  0.760  1.0
  O  O36  1  0.979  0.480  0.160  1.0
  O  O37  1  0.381  0.880  0.960  1.0
  O  O38  1  0.180  0.680  0.558  1.0
  O  O39  1  0.580  0.080  0.359  1.0
  O  O40  1  0.680  0.680  0.532  1.0
  O  O41  1  0.082  0.082  0.332  1.0
  O  O42  1  0.486  0.486  0.132  1.0
  O  O43  1  0.887  0.887  0.932  1.0
  O  O44  1  0.287  0.287  0.732  1.0
  O  O45  1  0.320  0.320  0.468  1.0
  O  O46  1  0.713  0.713  0.268  1.0
  O  O47  1  0.113  0.113  0.068  1.0
  O  O48  1  0.514  0.514  0.868  1.0
  O  O49  1  0.918  0.918  0.668  1.0
[/CIF]
.