The crystal structure described by La3Fe4AgO12 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 19-28°. 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 19-28°. Ag(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 Ag(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 Ag(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 4-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 Ag(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 in a 4-coordinate geometry to one La(2), one La(3), one Fe(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_La3Fe4AgO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.905
_cell_length_b   5.544
_cell_length_c   5.562
_cell_angle_alpha   89.792
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.740
_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  0.008  0.969  1.0
  La  La1  1  0.500  0.508  0.533  1.0
  La  La2  1  0.500  0.997  0.030  1.0
  Fe  Fe3  1  0.244  0.502  0.005  1.0
  Fe  Fe4  1  0.755  0.000  0.498  1.0
  Fe  Fe5  1  0.756  0.502  0.005  1.0
  Fe  Fe6  1  0.245  0.000  0.498  1.0
  Ag  Ag7  1  0.000  0.498  0.481  1.0
  O  O8  1  0.000  0.572  0.023  1.0
  O  O9  1  0.000  0.925  0.512  1.0
  O  O10  1  0.500  0.436  0.984  1.0
  O  O11  1  0.500  0.072  0.494  1.0
  O  O12  1  0.225  0.204  0.204  1.0
  O  O13  1  0.785  0.278  0.721  1.0
  O  O14  1  0.712  0.783  0.783  1.0
  O  O15  1  0.300  0.725  0.276  1.0
  O  O16  1  0.288  0.783  0.783  1.0
  O  O17  1  0.700  0.725  0.276  1.0
  O  O18  1  0.775  0.204  0.204  1.0
  O  O19  1  0.215  0.278  0.721  1.0
[/CIF]
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The crystal structure described by La3Fe4AgO12 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 19-28°. 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 19-28°. Ag(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 Ag(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 Ag(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 4-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 Ag(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 in a 4-coordinate geometry to one La(2), one La(3), one Fe(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_La3Fe4AgO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.905
_cell_length_b   5.544
_cell_length_c   5.562
_cell_angle_alpha   89.792
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.740
_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  0.008  0.969  1.0
  La  La1  1  0.500  0.508  0.533  1.0
  La  La2  1  0.500  0.997  0.030  1.0
  Fe  Fe3  1  0.244  0.502  0.005  1.0
  Fe  Fe4  1  0.755  0.000  0.498  1.0
  Fe  Fe5  1  0.756  0.502  0.005  1.0
  Fe  Fe6  1  0.245  0.000  0.498  1.0
  Ag  Ag7  1  0.000  0.498  0.481  1.0
  O  O8  1  0.000  0.572  0.023  1.0
  O  O9  1  0.000  0.925  0.512  1.0
  O  O10  1  0.500  0.436  0.984  1.0
  O  O11  1  0.500  0.072  0.494  1.0
  O  O12  1  0.225  0.204  0.204  1.0
  O  O13  1  0.785  0.278  0.721  1.0
  O  O14  1  0.712  0.783  0.783  1.0
  O  O15  1  0.300  0.725  0.276  1.0
  O  O16  1  0.288  0.783  0.783  1.0
  O  O17  1  0.700  0.725  0.276  1.0
  O  O18  1  0.775  0.204  0.204  1.0
  O  O19  1  0.215  0.278  0.721  1.0
[/CIF]
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