The material structure described by LaMn2CdO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. La(1) is bonded in a 9-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 18-25°. 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 18-25°. Cd(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. 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), one Mn(2), and two equivalent Cd(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), one Mn(2), and two equivalent Cd(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), one Mn(2), and two equivalent Cd(1) atoms. is represented by the CIF file [CIF]
data_LaMn2CdO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.387
_cell_length_b   5.390
_cell_length_c   5.388
_cell_angle_alpha   60.221
_cell_angle_beta   60.239
_cell_angle_gamma   60.229
_symmetry_Int_Tables_number   1
_cell_volume   111.192
_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  0.750  0.750  0.750  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Cd  Cd3  1  0.249  0.250  0.249  1.0
  O  O4  1  0.828  0.250  0.672  1.0
  O  O5  1  0.250  0.674  0.827  1.0
  O  O6  1  0.673  0.827  0.250  1.0
  O  O7  1  0.749  0.306  0.194  1.0
  O  O8  1  0.307  0.193  0.753  1.0
  O  O9  1  0.193  0.749  0.307  1.0
[/CIF]
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The material structure described by LaMn2CdO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. La(1) is bonded in a 9-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 18-25°. 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 18-25°. Cd(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. 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), one Mn(2), and two equivalent Cd(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), one Mn(2), and two equivalent Cd(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), one Mn(2), and two equivalent Cd(1) atoms. is represented by the CIF file [CIF]
data_LaMn2CdO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.387
_cell_length_b   5.390
_cell_length_c   5.388
_cell_angle_alpha   60.221
_cell_angle_beta   60.239
_cell_angle_gamma   60.229
_symmetry_Int_Tables_number   1
_cell_volume   111.192
_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  0.750  0.750  0.750  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Cd  Cd3  1  0.249  0.250  0.249  1.0
  O  O4  1  0.828  0.250  0.672  1.0
  O  O5  1  0.250  0.674  0.827  1.0
  O  O6  1  0.673  0.827  0.250  1.0
  O  O7  1  0.749  0.306  0.194  1.0
  O  O8  1  0.307  0.193  0.753  1.0
  O  O9  1  0.193  0.749  0.307  1.0
[/CIF]
.