The structure described by NdTaO4 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), three equivalent O(1), and three equivalent O(2) atoms. Ta(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 32-44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Nd(1) and one Ta(1) atom. In the second O site, O(2) is bonded to three equivalent Nd(1) and one Ta(1) atom to form a mixture of distorted corner and edge-sharing ONd3Ta tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nd(1) and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_NdTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.488
_cell_length_b   7.616
_cell_length_c   7.719
_cell_angle_alpha   80.099
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   317.841
_cell_formula_units_Z   4
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  0.223  0.349  0.899  1.0
  Nd  Nd1  1  0.723  0.651  0.601  1.0
  Nd  Nd2  1  0.777  0.651  0.101  1.0
  Nd  Nd3  1  0.277  0.349  0.399  1.0
  Ta  Ta4  1  0.731  0.165  0.694  1.0
  Ta  Ta5  1  0.231  0.835  0.806  1.0
  Ta  Ta6  1  0.269  0.835  0.306  1.0
  Ta  Ta7  1  0.769  0.165  0.194  1.0
  O  O8  1  0.509  0.332  0.130  1.0
  O  O9  1  0.009  0.668  0.370  1.0
  O  O10  1  0.491  0.668  0.870  1.0
  O  O11  1  0.991  0.332  0.630  1.0
  O  O12  1  0.986  0.384  0.170  1.0
  O  O13  1  0.486  0.616  0.330  1.0
  O  O14  1  0.014  0.616  0.830  1.0
  O  O15  1  0.514  0.384  0.670  1.0
  O  O16  1  0.851  0.167  0.944  1.0
  O  O17  1  0.351  0.833  0.556  1.0
  O  O18  1  0.149  0.833  0.056  1.0
  O  O19  1  0.649  0.167  0.444  1.0
  O  O20  1  0.408  0.059  0.799  1.0
  O  O21  1  0.908  0.941  0.701  1.0
  O  O22  1  0.592  0.941  0.201  1.0
  O  O23  1  0.092  0.059  0.299  1.0
[/CIF]
.
The structure described by NdTaO4 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), three equivalent O(1), and three equivalent O(2) atoms. Ta(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 32-44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Nd(1) and one Ta(1) atom. In the second O site, O(2) is bonded to three equivalent Nd(1) and one Ta(1) atom to form a mixture of distorted corner and edge-sharing ONd3Ta tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nd(1) and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_NdTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.488
_cell_length_b   7.616
_cell_length_c   7.719
_cell_angle_alpha   80.099
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   317.841
_cell_formula_units_Z   4
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  0.223  0.349  0.899  1.0
  Nd  Nd1  1  0.723  0.651  0.601  1.0
  Nd  Nd2  1  0.777  0.651  0.101  1.0
  Nd  Nd3  1  0.277  0.349  0.399  1.0
  Ta  Ta4  1  0.731  0.165  0.694  1.0
  Ta  Ta5  1  0.231  0.835  0.806  1.0
  Ta  Ta6  1  0.269  0.835  0.306  1.0
  Ta  Ta7  1  0.769  0.165  0.194  1.0
  O  O8  1  0.509  0.332  0.130  1.0
  O  O9  1  0.009  0.668  0.370  1.0
  O  O10  1  0.491  0.668  0.870  1.0
  O  O11  1  0.991  0.332  0.630  1.0
  O  O12  1  0.986  0.384  0.170  1.0
  O  O13  1  0.486  0.616  0.330  1.0
  O  O14  1  0.014  0.616  0.830  1.0
  O  O15  1  0.514  0.384  0.670  1.0
  O  O16  1  0.851  0.167  0.944  1.0
  O  O17  1  0.351  0.833  0.556  1.0
  O  O18  1  0.149  0.833  0.056  1.0
  O  O19  1  0.649  0.167  0.444  1.0
  O  O20  1  0.408  0.059  0.799  1.0
  O  O21  1  0.908  0.941  0.701  1.0
  O  O22  1  0.592  0.941  0.201  1.0
  O  O23  1  0.092  0.059  0.299  1.0
[/CIF]
.