The material structure described by Nd2MnRhO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Rh(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-35°. Rh(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RhO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-35°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Mn(1), and one Rh(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Nd(1), one Mn(1), and one Rh(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Nd(1), one Mn(1), and one Rh(1) atom. is represented by the CIF card [CIF]
data_Nd2MnRhO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.859
_cell_length_b   5.560
_cell_length_c   9.331
_cell_angle_alpha   54.944
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   248.811
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.568  0.730  0.750  1.0
  Nd  Nd1  1  0.068  0.270  0.750  1.0
  Nd  Nd2  1  0.432  0.270  0.250  1.0
  Nd  Nd3  1  0.932  0.730  0.250  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.500  1.0
  Rh  Rh6  1  0.500  0.500  0.500  1.0
  Rh  Rh7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.967  0.859  0.744  1.0
  O  O9  1  0.467  0.141  0.756  1.0
  O  O10  1  0.033  0.141  0.256  1.0
  O  O11  1  0.533  0.859  0.244  1.0
  O  O12  1  0.800  0.248  0.948  1.0
  O  O13  1  0.300  0.752  0.552  1.0
  O  O14  1  0.200  0.357  0.450  1.0
  O  O15  1  0.700  0.643  0.050  1.0
  O  O16  1  0.200  0.752  0.052  1.0
  O  O17  1  0.700  0.248  0.448  1.0
  O  O18  1  0.800  0.643  0.550  1.0
  O  O19  1  0.300  0.357  0.950  1.0
[/CIF]
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The material structure described by Nd2MnRhO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Rh(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-35°. Rh(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RhO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-35°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Mn(1), and one Rh(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Nd(1), one Mn(1), and one Rh(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Nd(1), one Mn(1), and one Rh(1) atom. is represented by the CIF card [CIF]
data_Nd2MnRhO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.859
_cell_length_b   5.560
_cell_length_c   9.331
_cell_angle_alpha   54.944
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   248.811
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.568  0.730  0.750  1.0
  Nd  Nd1  1  0.068  0.270  0.750  1.0
  Nd  Nd2  1  0.432  0.270  0.250  1.0
  Nd  Nd3  1  0.932  0.730  0.250  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.500  1.0
  Rh  Rh6  1  0.500  0.500  0.500  1.0
  Rh  Rh7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.967  0.859  0.744  1.0
  O  O9  1  0.467  0.141  0.756  1.0
  O  O10  1  0.033  0.141  0.256  1.0
  O  O11  1  0.533  0.859  0.244  1.0
  O  O12  1  0.800  0.248  0.948  1.0
  O  O13  1  0.300  0.752  0.552  1.0
  O  O14  1  0.200  0.357  0.450  1.0
  O  O15  1  0.700  0.643  0.050  1.0
  O  O16  1  0.200  0.752  0.052  1.0
  O  O17  1  0.700  0.248  0.448  1.0
  O  O18  1  0.800  0.643  0.550  1.0
  O  O19  1  0.300  0.357  0.950  1.0
[/CIF]
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