The structure described by NdMnFeBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1 space group. Nd(1) is bonded in a 8-coordinate geometry to one O(3), one O(6), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. 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 MnO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-32°. Fe(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 FeO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-32°. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Fe(1), and two equivalent Bi(1) atoms to form distorted corner-sharing OMnFeBi2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Mn(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Nd(1), one Mn(1), one Fe(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Mn(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Mn(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Nd(1), one Mn(1), one Fe(1), and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_NdMnFeBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.646
_cell_length_b   5.475
_cell_length_c   7.914
_cell_angle_alpha   89.241
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.603
_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  0.449  0.236  0.501  1.0
  Nd  Nd1  1  0.949  0.764  0.499  1.0
  Mn  Mn2  1  0.499  0.750  0.748  1.0
  Mn  Mn3  1  0.999  0.250  0.252  1.0
  Fe  Fe4  1  0.499  0.754  0.249  1.0
  Fe  Fe5  1  0.999  0.246  0.751  1.0
  Bi  Bi6  1  0.554  0.266  0.001  1.0
  Bi  Bi7  1  0.054  0.734  0.999  1.0
  O  O8  1  0.466  0.847  0.985  1.0
  O  O9  1  0.966  0.153  0.015  1.0
  O  O10  1  0.530  0.657  0.513  1.0
  O  O11  1  0.030  0.343  0.487  1.0
  O  O12  1  0.297  0.462  0.795  1.0
  O  O13  1  0.797  0.538  0.205  1.0
  O  O14  1  0.722  0.054  0.308  1.0
  O  O15  1  0.222  0.946  0.692  1.0
  O  O16  1  0.706  0.030  0.699  1.0
  O  O17  1  0.206  0.970  0.301  1.0
  O  O18  1  0.276  0.450  0.196  1.0
  O  O19  1  0.776  0.550  0.804  1.0
[/CIF]
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The structure described by NdMnFeBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1 space group. Nd(1) is bonded in a 8-coordinate geometry to one O(3), one O(6), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. 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 MnO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-32°. Fe(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 FeO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-32°. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Fe(1), and two equivalent Bi(1) atoms to form distorted corner-sharing OMnFeBi2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Mn(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Nd(1), one Mn(1), one Fe(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Mn(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Mn(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Nd(1), one Mn(1), one Fe(1), and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_NdMnFeBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.646
_cell_length_b   5.475
_cell_length_c   7.914
_cell_angle_alpha   89.241
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.603
_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  0.449  0.236  0.501  1.0
  Nd  Nd1  1  0.949  0.764  0.499  1.0
  Mn  Mn2  1  0.499  0.750  0.748  1.0
  Mn  Mn3  1  0.999  0.250  0.252  1.0
  Fe  Fe4  1  0.499  0.754  0.249  1.0
  Fe  Fe5  1  0.999  0.246  0.751  1.0
  Bi  Bi6  1  0.554  0.266  0.001  1.0
  Bi  Bi7  1  0.054  0.734  0.999  1.0
  O  O8  1  0.466  0.847  0.985  1.0
  O  O9  1  0.966  0.153  0.015  1.0
  O  O10  1  0.530  0.657  0.513  1.0
  O  O11  1  0.030  0.343  0.487  1.0
  O  O12  1  0.297  0.462  0.795  1.0
  O  O13  1  0.797  0.538  0.205  1.0
  O  O14  1  0.722  0.054  0.308  1.0
  O  O15  1  0.222  0.946  0.692  1.0
  O  O16  1  0.706  0.030  0.699  1.0
  O  O17  1  0.206  0.970  0.301  1.0
  O  O18  1  0.276  0.450  0.196  1.0
  O  O19  1  0.776  0.550  0.804  1.0
[/CIF]
.