The compound described by Nd2O5 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Nd(1) and one O(3) atom. In the second O site, O(2) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with eight equivalent O(3)Nd3O tetrahedra, edges with two equivalent O(3)Nd3O tetrahedra, and edges with two equivalent O(2)Nd4 tetrahedra. In the third O site, O(3) is bonded to three equivalent Nd(1) and one O(1) atom to form distorted ONd3O tetrahedra that share corners with two equivalent O(3)Nd3O tetrahedra, corners with four equivalent O(2)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra, and edges with two equivalent O(3)Nd3O tetrahedra. is represented by the CIF file [CIF]
data_Nd2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.610
_cell_length_b   6.007
_cell_length_c   7.368
_cell_angle_alpha   118.073
_cell_angle_beta   112.378
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.676
_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  0.680  0.839  0.781  1.0
  Nd  Nd1  1  0.899  0.661  0.219  1.0
  Nd  Nd2  1  0.320  0.161  0.219  1.0
  Nd  Nd3  1  0.101  0.339  0.781  1.0
  O  O4  1  0.383  0.653  0.377  1.0
  O  O5  1  0.006  0.847  0.623  1.0
  O  O6  1  0.617  0.347  0.623  1.0
  O  O7  1  0.994  0.153  0.377  1.0
  O  O8  1  0.944  0.250  0.000  1.0
  O  O9  1  0.056  0.750  0.000  1.0
  O  O10  1  0.475  0.519  0.196  1.0
  O  O11  1  0.279  0.981  0.804  1.0
  O  O12  1  0.525  0.481  0.804  1.0
  O  O13  1  0.721  0.019  0.196  1.0
[/CIF]
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The compound described by Nd2O5 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Nd(1) and one O(3) atom. In the second O site, O(2) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with eight equivalent O(3)Nd3O tetrahedra, edges with two equivalent O(3)Nd3O tetrahedra, and edges with two equivalent O(2)Nd4 tetrahedra. In the third O site, O(3) is bonded to three equivalent Nd(1) and one O(1) atom to form distorted ONd3O tetrahedra that share corners with two equivalent O(3)Nd3O tetrahedra, corners with four equivalent O(2)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra, and edges with two equivalent O(3)Nd3O tetrahedra. is represented by the CIF file [CIF]
data_Nd2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.610
_cell_length_b   6.007
_cell_length_c   7.368
_cell_angle_alpha   118.073
_cell_angle_beta   112.378
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.676
_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  0.680  0.839  0.781  1.0
  Nd  Nd1  1  0.899  0.661  0.219  1.0
  Nd  Nd2  1  0.320  0.161  0.219  1.0
  Nd  Nd3  1  0.101  0.339  0.781  1.0
  O  O4  1  0.383  0.653  0.377  1.0
  O  O5  1  0.006  0.847  0.623  1.0
  O  O6  1  0.617  0.347  0.623  1.0
  O  O7  1  0.994  0.153  0.377  1.0
  O  O8  1  0.944  0.250  0.000  1.0
  O  O9  1  0.056  0.750  0.000  1.0
  O  O10  1  0.475  0.519  0.196  1.0
  O  O11  1  0.279  0.981  0.804  1.0
  O  O12  1  0.525  0.481  0.804  1.0
  O  O13  1  0.721  0.019  0.196  1.0
[/CIF]
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