The crystal structure described by LaMn2CdO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. La(1) is bonded in a 3-coordinate geometry to one O(4), one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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(4), one O(5), and one O(6) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 20-27°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 20-27°. Cd(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent La(1), one Mn(1), one Mn(2), and one Cd(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent La(1), one Mn(1), one Mn(2), and one Cd(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent La(1), one Mn(1), one Mn(2), and one Cd(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMn2CdO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   5.437
_cell_length_c   5.494
_cell_angle_alpha   87.541
_cell_angle_beta   60.919
_cell_angle_gamma   118.414
_symmetry_Int_Tables_number   1
_cell_volume   116.573
_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
  Cd  Cd0  1  0.502  0.253  0.249  1.0
  La  La1  1  0.498  0.748  0.751  1.0
  Mn  Mn2  1  0.001  0.500  0.500  1.0
  Mn  Mn3  1  0.999  1.000  0.001  1.0
  O  O4  1  0.083  0.827  0.659  1.0
  O  O5  1  0.509  0.256  0.830  1.0
  O  O6  1  0.917  0.668  0.250  1.0
  O  O7  1  0.491  0.739  0.188  1.0
  O  O8  1  0.069  0.317  0.750  1.0
  O  O9  1  0.931  0.192  0.322  1.0
[/CIF]
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The crystal structure described by LaMn2CdO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. La(1) is bonded in a 3-coordinate geometry to one O(4), one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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(4), one O(5), and one O(6) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 20-27°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 20-27°. Cd(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent La(1), one Mn(1), one Mn(2), and one Cd(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent La(1), one Mn(1), one Mn(2), and one Cd(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent La(1), one Mn(1), one Mn(2), and one Cd(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMn2CdO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   5.437
_cell_length_c   5.494
_cell_angle_alpha   87.541
_cell_angle_beta   60.919
_cell_angle_gamma   118.414
_symmetry_Int_Tables_number   1
_cell_volume   116.573
_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
  Cd  Cd0  1  0.502  0.253  0.249  1.0
  La  La1  1  0.498  0.748  0.751  1.0
  Mn  Mn2  1  0.001  0.500  0.500  1.0
  Mn  Mn3  1  0.999  1.000  0.001  1.0
  O  O4  1  0.083  0.827  0.659  1.0
  O  O5  1  0.509  0.256  0.830  1.0
  O  O6  1  0.917  0.668  0.250  1.0
  O  O7  1  0.491  0.739  0.188  1.0
  O  O8  1  0.069  0.317  0.750  1.0
  O  O9  1  0.931  0.192  0.322  1.0
[/CIF]
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