The compound described by NdBiO4 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Bi(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing BiO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Nd(1) and one Bi(1) atom. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing ONd2Bi2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.018
_cell_length_b   7.018
_cell_length_c   6.775
_cell_angle_alpha   131.293
_cell_angle_beta   134.610
_cell_angle_gamma   71.646
_symmetry_Int_Tables_number   1
_cell_volume   171.466
_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  0.387  0.137  0.250  1.0
  Nd  Nd1  1  0.613  0.863  0.750  1.0
  Bi  Bi2  1  0.848  0.598  0.250  1.0
  Bi  Bi3  1  0.152  0.402  0.750  1.0
  O  O4  1  0.717  0.550  0.835  1.0
  O  O5  1  0.785  0.118  0.335  1.0
  O  O6  1  0.466  0.236  0.757  1.0
  O  O7  1  0.021  0.291  0.257  1.0
  O  O8  1  0.979  0.709  0.743  1.0
  O  O9  1  0.534  0.764  0.243  1.0
  O  O10  1  0.215  0.882  0.665  1.0
  O  O11  1  0.283  0.450  0.165  1.0
[/CIF]
.
The compound described by NdBiO4 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Bi(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing BiO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Nd(1) and one Bi(1) atom. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing ONd2Bi2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.018
_cell_length_b   7.018
_cell_length_c   6.775
_cell_angle_alpha   131.293
_cell_angle_beta   134.610
_cell_angle_gamma   71.646
_symmetry_Int_Tables_number   1
_cell_volume   171.466
_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  0.387  0.137  0.250  1.0
  Nd  Nd1  1  0.613  0.863  0.750  1.0
  Bi  Bi2  1  0.848  0.598  0.250  1.0
  Bi  Bi3  1  0.152  0.402  0.750  1.0
  O  O4  1  0.717  0.550  0.835  1.0
  O  O5  1  0.785  0.118  0.335  1.0
  O  O6  1  0.466  0.236  0.757  1.0
  O  O7  1  0.021  0.291  0.257  1.0
  O  O8  1  0.979  0.709  0.743  1.0
  O  O9  1  0.534  0.764  0.243  1.0
  O  O10  1  0.215  0.882  0.665  1.0
  O  O11  1  0.283  0.450  0.165  1.0
[/CIF]
.