The structure described by NdMnFeBiO6 crystallizes in the monoclinic P2_1 space group. Nd(1) is bonded in a 5-coordinate geometry to 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(6), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 24°. Fe(1) is bonded to one O(2), one O(3), one O(6), and two equivalent O(5) atoms to form distorted FeO5 trigonal bipyramids that share corners with three equivalent Mn(1)O6 octahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-41°. Bi(1) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like 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 3-coordinate geometry to one Mn(1), one Fe(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Nd(1) and two equivalent Fe(1) atoms to form distorted corner-sharing ONd2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_NdMnFeBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.970
_cell_length_b   7.446
_cell_length_c   9.283
_cell_angle_alpha   90.000
_cell_angle_beta   95.240
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.270
_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  0.256  0.811  0.773  1.0
  Nd  Nd1  1  0.244  0.311  0.727  1.0
  Mn  Mn2  1  0.809  0.543  0.993  1.0
  Mn  Mn3  1  0.691  0.043  0.507  1.0
  Fe  Fe4  1  0.718  0.562  0.544  1.0
  Fe  Fe5  1  0.782  0.062  0.956  1.0
  Bi  Bi6  1  0.029  0.282  0.279  1.0
  Bi  Bi7  1  0.471  0.782  0.221  1.0
  O  O8  1  0.859  0.570  0.235  1.0
  O  O9  1  0.641  0.070  0.265  1.0
  O  O10  1  0.754  0.484  0.756  1.0
  O  O11  1  0.746  0.984  0.744  1.0
  O  O12  1  0.779  0.812  0.010  1.0
  O  O13  1  0.721  0.312  0.490  1.0
  O  O14  1  0.206  0.060  0.550  1.0
  O  O15  1  0.294  0.560  0.950  1.0
  O  O16  1  0.279  0.083  0.916  1.0
  O  O17  1  0.221  0.583  0.584  1.0
  O  O18  1  0.674  0.793  0.454  1.0
  O  O19  1  0.826  0.293  0.046  1.0
[/CIF]
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The structure described by NdMnFeBiO6 crystallizes in the monoclinic P2_1 space group. Nd(1) is bonded in a 5-coordinate geometry to 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(6), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 24°. Fe(1) is bonded to one O(2), one O(3), one O(6), and two equivalent O(5) atoms to form distorted FeO5 trigonal bipyramids that share corners with three equivalent Mn(1)O6 octahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-41°. Bi(1) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like 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 3-coordinate geometry to one Mn(1), one Fe(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Nd(1) and two equivalent Fe(1) atoms to form distorted corner-sharing ONd2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_NdMnFeBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.970
_cell_length_b   7.446
_cell_length_c   9.283
_cell_angle_alpha   90.000
_cell_angle_beta   95.240
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.270
_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  0.256  0.811  0.773  1.0
  Nd  Nd1  1  0.244  0.311  0.727  1.0
  Mn  Mn2  1  0.809  0.543  0.993  1.0
  Mn  Mn3  1  0.691  0.043  0.507  1.0
  Fe  Fe4  1  0.718  0.562  0.544  1.0
  Fe  Fe5  1  0.782  0.062  0.956  1.0
  Bi  Bi6  1  0.029  0.282  0.279  1.0
  Bi  Bi7  1  0.471  0.782  0.221  1.0
  O  O8  1  0.859  0.570  0.235  1.0
  O  O9  1  0.641  0.070  0.265  1.0
  O  O10  1  0.754  0.484  0.756  1.0
  O  O11  1  0.746  0.984  0.744  1.0
  O  O12  1  0.779  0.812  0.010  1.0
  O  O13  1  0.721  0.312  0.490  1.0
  O  O14  1  0.206  0.060  0.550  1.0
  O  O15  1  0.294  0.560  0.950  1.0
  O  O16  1  0.279  0.083  0.916  1.0
  O  O17  1  0.221  0.583  0.584  1.0
  O  O18  1  0.674  0.793  0.454  1.0
  O  O19  1  0.826  0.293  0.046  1.0
[/CIF]
.