The material described by NdCPH3O6H2O crystallizes in the triclinic P-1 space group. The structure consists of two water molecules inside a NdCPH3O6 framework. In the NdCPH3O6 framework, Nd(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(7) atoms. C(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(6) atom. P(1) is bonded in a distorted tetrahedral geometry to one H(5), one O(1), one O(3), and one O(7) atom. There are three inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(4) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(5) is bonded in a single-bond geometry to one P(1) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and one C(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Nd(1) and one P(1) atom. In the fourth O site, O(5) is bonded in a distorted water-like geometry to one Nd(1), one H(2), and one H(4) atom. In the fifth O site, O(6) is bonded in a distorted single-bond geometry to one Nd(1) and one C(1) atom. In the sixth O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one P(1) atom. is represented by the CIF file [CIF]
data_NdPH5CO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.716
_cell_length_b   7.107
_cell_length_c   7.908
_cell_angle_alpha   111.375
_cell_angle_beta   96.300
_cell_angle_gamma   89.877
_symmetry_Int_Tables_number   1
_cell_volume   349.086
_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  0.870  0.777  0.066  1.0
  Nd  Nd1  1  0.130  0.223  0.934  1.0
  P  P2  1  0.325  0.748  0.982  1.0
  P  P3  1  0.675  0.252  0.018  1.0
  H  H4  1  0.475  0.870  0.586  1.0
  H  H5  1  0.717  0.667  0.642  1.0
  H  H6  1  0.528  0.745  0.391  1.0
  H  H7  1  0.525  0.130  0.414  1.0
  H  H8  1  0.283  0.333  0.358  1.0
  H  H9  1  0.831  0.477  0.673  1.0
  H  H10  1  0.629  0.293  0.197  1.0
  H  H11  1  0.169  0.523  0.327  1.0
  H  H12  1  0.472  0.255  0.609  1.0
  H  H13  1  0.371  0.707  0.803  1.0
  C  C14  1  0.063  0.909  0.502  1.0
  C  C15  1  0.937  0.091  0.498  1.0
  O  O16  1  0.819  0.425  0.025  1.0
  O  O17  1  0.837  0.076  0.349  1.0
  O  O18  1  0.522  0.772  0.105  1.0
  O  O19  1  0.583  0.796  0.520  1.0
  O  O20  1  0.478  0.228  0.895  1.0
  O  O21  1  0.215  0.384  0.267  1.0
  O  O22  1  0.945  0.242  0.648  1.0
  O  O23  1  0.181  0.575  0.975  1.0
  O  O24  1  0.198  0.940  0.037  1.0
  O  O25  1  0.163  0.924  0.651  1.0
  O  O26  1  0.802  0.060  0.963  1.0
  O  O27  1  0.055  0.758  0.352  1.0
  O  O28  1  0.785  0.616  0.733  1.0
  O  O29  1  0.417  0.204  0.480  1.0
[/CIF]
.
The material described by NdCPH3O6H2O crystallizes in the triclinic P-1 space group. The structure consists of two water molecules inside a NdCPH3O6 framework. In the NdCPH3O6 framework, Nd(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(7) atoms. C(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(6) atom. P(1) is bonded in a distorted tetrahedral geometry to one H(5), one O(1), one O(3), and one O(7) atom. There are three inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(4) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(5) is bonded in a single-bond geometry to one P(1) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and one C(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Nd(1) and one P(1) atom. In the fourth O site, O(5) is bonded in a distorted water-like geometry to one Nd(1), one H(2), and one H(4) atom. In the fifth O site, O(6) is bonded in a distorted single-bond geometry to one Nd(1) and one C(1) atom. In the sixth O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one P(1) atom. is represented by the CIF file [CIF]
data_NdPH5CO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.716
_cell_length_b   7.107
_cell_length_c   7.908
_cell_angle_alpha   111.375
_cell_angle_beta   96.300
_cell_angle_gamma   89.877
_symmetry_Int_Tables_number   1
_cell_volume   349.086
_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  0.870  0.777  0.066  1.0
  Nd  Nd1  1  0.130  0.223  0.934  1.0
  P  P2  1  0.325  0.748  0.982  1.0
  P  P3  1  0.675  0.252  0.018  1.0
  H  H4  1  0.475  0.870  0.586  1.0
  H  H5  1  0.717  0.667  0.642  1.0
  H  H6  1  0.528  0.745  0.391  1.0
  H  H7  1  0.525  0.130  0.414  1.0
  H  H8  1  0.283  0.333  0.358  1.0
  H  H9  1  0.831  0.477  0.673  1.0
  H  H10  1  0.629  0.293  0.197  1.0
  H  H11  1  0.169  0.523  0.327  1.0
  H  H12  1  0.472  0.255  0.609  1.0
  H  H13  1  0.371  0.707  0.803  1.0
  C  C14  1  0.063  0.909  0.502  1.0
  C  C15  1  0.937  0.091  0.498  1.0
  O  O16  1  0.819  0.425  0.025  1.0
  O  O17  1  0.837  0.076  0.349  1.0
  O  O18  1  0.522  0.772  0.105  1.0
  O  O19  1  0.583  0.796  0.520  1.0
  O  O20  1  0.478  0.228  0.895  1.0
  O  O21  1  0.215  0.384  0.267  1.0
  O  O22  1  0.945  0.242  0.648  1.0
  O  O23  1  0.181  0.575  0.975  1.0
  O  O24  1  0.198  0.940  0.037  1.0
  O  O25  1  0.163  0.924  0.651  1.0
  O  O26  1  0.802  0.060  0.963  1.0
  O  O27  1  0.055  0.758  0.352  1.0
  O  O28  1  0.785  0.616  0.733  1.0
  O  O29  1  0.417  0.204  0.480  1.0
[/CIF]
.