The crystal structure described by La3Mn4AgO12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(8), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 14-22°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 14-22°. Ag(1) is bonded in a distorted trigonal planar geometry to one O(4) and two equivalent O(2) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one La(2), one La(3), one Mn(1), one Mn(2), and one Ag(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent La(3), two equivalent Mn(2), and one Ag(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one La(1), one La(3), one Mn(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(3) and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_La3Mn4AgO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.565
_cell_length_b   5.530
_cell_length_c   7.818
_cell_angle_alpha   89.299
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.569
_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  0.498  0.000  0.000  1.0
  La  La1  1  1.000  0.500  0.000  1.0
  La  La2  1  0.499  0.000  0.500  1.0
  Mn  Mn3  1  0.999  0.001  0.746  1.0
  Mn  Mn4  1  0.500  0.500  0.255  1.0
  Mn  Mn5  1  0.999  0.999  0.254  1.0
  Mn  Mn6  1  0.500  0.500  0.745  1.0
  Ag  Ag7  1  1.000  0.500  0.500  1.0
  O  O8  1  0.720  0.781  0.782  1.0
  O  O9  1  0.226  0.273  0.273  1.0
  O  O10  1  0.226  0.727  0.727  1.0
  O  O11  1  0.720  0.219  0.218  1.0
  O  O12  1  0.054  0.000  0.000  1.0
  O  O13  1  0.562  0.500  0.500  1.0
  O  O14  1  0.770  0.269  0.790  1.0
  O  O15  1  0.287  0.788  0.269  1.0
  O  O16  1  0.939  0.000  0.500  1.0
  O  O17  1  0.445  0.500  0.000  1.0
  O  O18  1  0.287  0.212  0.731  1.0
  O  O19  1  0.770  0.731  0.210  1.0
[/CIF]
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The crystal structure described by La3Mn4AgO12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(8), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 14-22°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 14-22°. Ag(1) is bonded in a distorted trigonal planar geometry to one O(4) and two equivalent O(2) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one La(2), one La(3), one Mn(1), one Mn(2), and one Ag(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent La(3), two equivalent Mn(2), and one Ag(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one La(1), one La(3), one Mn(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(3) and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_La3Mn4AgO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.565
_cell_length_b   5.530
_cell_length_c   7.818
_cell_angle_alpha   89.299
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.569
_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  0.498  0.000  0.000  1.0
  La  La1  1  1.000  0.500  0.000  1.0
  La  La2  1  0.499  0.000  0.500  1.0
  Mn  Mn3  1  0.999  0.001  0.746  1.0
  Mn  Mn4  1  0.500  0.500  0.255  1.0
  Mn  Mn5  1  0.999  0.999  0.254  1.0
  Mn  Mn6  1  0.500  0.500  0.745  1.0
  Ag  Ag7  1  1.000  0.500  0.500  1.0
  O  O8  1  0.720  0.781  0.782  1.0
  O  O9  1  0.226  0.273  0.273  1.0
  O  O10  1  0.226  0.727  0.727  1.0
  O  O11  1  0.720  0.219  0.218  1.0
  O  O12  1  0.054  0.000  0.000  1.0
  O  O13  1  0.562  0.500  0.500  1.0
  O  O14  1  0.770  0.269  0.790  1.0
  O  O15  1  0.287  0.788  0.269  1.0
  O  O16  1  0.939  0.000  0.500  1.0
  O  O17  1  0.445  0.500  0.000  1.0
  O  O18  1  0.287  0.212  0.731  1.0
  O  O19  1  0.770  0.731  0.210  1.0
[/CIF]
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