The material structure described by La3Cd(FeO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third La site, La(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom 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 one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 22-31°. Cd(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one La(1), two equivalent Fe(1), and one Cd(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), two equivalent Fe(2), and one Cd(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one La(2), one La(3), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(2), one La(3), and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one La(3), one Fe(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one La(1), one La(2), one Fe(1), one Fe(2), and one Cd(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one Fe(1), and one Fe(2) atom. In the eighth O site, O(8) is bonded to one La(2), one La(3), one Fe(1), and one Fe(2) atom to form distorted edge-sharing OLa2Fe2 trigonal pyramids. is represented by the CIF card [CIF]
data_La3Cd(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.917
_cell_length_b   5.556
_cell_length_c   5.561
_cell_angle_alpha   89.507
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.588
_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  0.000  0.009  0.971  1.0
  La  La1  1  0.500  0.507  0.529  1.0
  La  La2  1  0.500  0.993  0.031  1.0
  Cd  Cd3  1  0.000  0.492  0.473  1.0
  Fe  Fe4  1  0.245  0.503  0.003  1.0
  Fe  Fe5  1  0.755  0.998  0.499  1.0
  Fe  Fe6  1  0.755  0.503  0.003  1.0
  Fe  Fe7  1  0.245  0.998  0.499  1.0
  O  O8  1  0.000  0.580  0.040  1.0
  O  O9  1  0.000  0.902  0.514  1.0
  O  O10  1  0.500  0.425  0.979  1.0
  O  O11  1  0.500  0.080  0.497  1.0
  O  O12  1  0.217  0.211  0.210  1.0
  O  O13  1  0.800  0.286  0.713  1.0
  O  O14  1  0.709  0.784  0.783  1.0
  O  O15  1  0.303  0.726  0.275  1.0
  O  O16  1  0.291  0.784  0.783  1.0
  O  O17  1  0.697  0.726  0.275  1.0
  O  O18  1  0.783  0.211  0.210  1.0
  O  O19  1  0.200  0.286  0.713  1.0
[/CIF]
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The material structure described by La3Cd(FeO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third La site, La(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom 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 one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 22-31°. Cd(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one La(1), two equivalent Fe(1), and one Cd(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), two equivalent Fe(2), and one Cd(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one La(2), one La(3), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(2), one La(3), and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one La(3), one Fe(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one La(1), one La(2), one Fe(1), one Fe(2), and one Cd(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one Fe(1), and one Fe(2) atom. In the eighth O site, O(8) is bonded to one La(2), one La(3), one Fe(1), and one Fe(2) atom to form distorted edge-sharing OLa2Fe2 trigonal pyramids. is represented by the CIF card [CIF]
data_La3Cd(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.917
_cell_length_b   5.556
_cell_length_c   5.561
_cell_angle_alpha   89.507
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.588
_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  0.000  0.009  0.971  1.0
  La  La1  1  0.500  0.507  0.529  1.0
  La  La2  1  0.500  0.993  0.031  1.0
  Cd  Cd3  1  0.000  0.492  0.473  1.0
  Fe  Fe4  1  0.245  0.503  0.003  1.0
  Fe  Fe5  1  0.755  0.998  0.499  1.0
  Fe  Fe6  1  0.755  0.503  0.003  1.0
  Fe  Fe7  1  0.245  0.998  0.499  1.0
  O  O8  1  0.000  0.580  0.040  1.0
  O  O9  1  0.000  0.902  0.514  1.0
  O  O10  1  0.500  0.425  0.979  1.0
  O  O11  1  0.500  0.080  0.497  1.0
  O  O12  1  0.217  0.211  0.210  1.0
  O  O13  1  0.800  0.286  0.713  1.0
  O  O14  1  0.709  0.784  0.783  1.0
  O  O15  1  0.303  0.726  0.275  1.0
  O  O16  1  0.291  0.784  0.783  1.0
  O  O17  1  0.697  0.726  0.275  1.0
  O  O18  1  0.783  0.211  0.210  1.0
  O  O19  1  0.200  0.286  0.713  1.0
[/CIF]
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