The material described by NdP2(HO2)3 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted tetrahedral geometry to one H(2), one O(1), one O(4), and one O(6) atom. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one H(1), one O(2), one O(3), and one O(5) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one P(1) atom. In the third H site, H(3) is bonded in a linear geometry to one O(3) and one O(4) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one P(2), and one H(3) atom. In the second O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one P(1), and one H(3) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Nd(1) and one P(2) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one P(1) atom. In the fifth O site, O(1) is bonded in a linear geometry to one Nd(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted linear geometry to one Nd(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdP2(HO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.346
_cell_length_b   8.874
_cell_length_c   9.224
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.856
_symmetry_Int_Tables_number   1
_cell_volume   619.844
_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  0.751  0.006  0.533  1.0
  Nd  Nd1  1  0.249  0.494  0.033  1.0
  Nd  Nd2  1  0.249  0.994  0.467  1.0
  Nd  Nd3  1  0.751  0.506  0.967  1.0
  P  P4  1  0.446  0.687  0.396  1.0
  P  P5  1  0.554  0.813  0.896  1.0
  P  P6  1  0.554  0.313  0.604  1.0
  P  P7  1  0.446  0.187  0.104  1.0
  P  P8  1  0.947  0.089  0.220  1.0
  P  P9  1  0.053  0.411  0.720  1.0
  P  P10  1  0.053  0.911  0.780  1.0
  P  P11  1  0.947  0.589  0.280  1.0
  H  H12  1  0.900  0.946  0.137  1.0
  H  H13  1  0.100  0.554  0.637  1.0
  H  H14  1  0.100  0.054  0.863  1.0
  H  H15  1  0.900  0.446  0.363  1.0
  H  H16  1  0.361  0.559  0.495  1.0
  H  H17  1  0.639  0.941  0.995  1.0
  H  H18  1  0.639  0.441  0.505  1.0
  H  H19  1  0.361  0.059  0.005  1.0
  H  H20  1  0.713  0.156  0.189  1.0
  H  H21  1  0.287  0.344  0.689  1.0
  H  H22  1  0.287  0.844  0.811  1.0
  H  H23  1  0.713  0.656  0.311  1.0
  O  O24  1  0.369  0.625  0.249  1.0
  O  O25  1  0.631  0.875  0.749  1.0
  O  O26  1  0.631  0.375  0.751  1.0
  O  O27  1  0.369  0.125  0.251  1.0
  O  O28  1  0.062  0.234  0.131  1.0
  O  O29  1  0.938  0.266  0.631  1.0
  O  O30  1  0.938  0.766  0.869  1.0
  O  O31  1  0.062  0.734  0.369  1.0
  O  O32  1  0.769  0.098  0.264  1.0
  O  O33  1  0.231  0.402  0.764  1.0
  O  O34  1  0.231  0.902  0.736  1.0
  O  O35  1  0.769  0.598  0.236  1.0
  O  O36  1  0.646  0.731  0.406  1.0
  O  O37  1  0.354  0.769  0.906  1.0
  O  O38  1  0.354  0.269  0.594  1.0
  O  O39  1  0.646  0.231  0.094  1.0
  O  O40  1  0.014  0.061  0.366  1.0
  O  O41  1  0.986  0.439  0.866  1.0
  O  O42  1  0.986  0.939  0.634  1.0
  O  O43  1  0.014  0.561  0.134  1.0
  O  O44  1  0.431  0.843  0.452  1.0
  O  O45  1  0.569  0.657  0.952  1.0
  O  O46  1  0.569  0.157  0.548  1.0
  O  O47  1  0.431  0.343  0.048  1.0
[/CIF]
.
The material described by NdP2(HO2)3 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted tetrahedral geometry to one H(2), one O(1), one O(4), and one O(6) atom. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one H(1), one O(2), one O(3), and one O(5) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one P(1) atom. In the third H site, H(3) is bonded in a linear geometry to one O(3) and one O(4) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one P(2), and one H(3) atom. In the second O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one P(1), and one H(3) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Nd(1) and one P(2) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one P(1) atom. In the fifth O site, O(1) is bonded in a linear geometry to one Nd(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted linear geometry to one Nd(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdP2(HO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.346
_cell_length_b   8.874
_cell_length_c   9.224
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.856
_symmetry_Int_Tables_number   1
_cell_volume   619.844
_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  0.751  0.006  0.533  1.0
  Nd  Nd1  1  0.249  0.494  0.033  1.0
  Nd  Nd2  1  0.249  0.994  0.467  1.0
  Nd  Nd3  1  0.751  0.506  0.967  1.0
  P  P4  1  0.446  0.687  0.396  1.0
  P  P5  1  0.554  0.813  0.896  1.0
  P  P6  1  0.554  0.313  0.604  1.0
  P  P7  1  0.446  0.187  0.104  1.0
  P  P8  1  0.947  0.089  0.220  1.0
  P  P9  1  0.053  0.411  0.720  1.0
  P  P10  1  0.053  0.911  0.780  1.0
  P  P11  1  0.947  0.589  0.280  1.0
  H  H12  1  0.900  0.946  0.137  1.0
  H  H13  1  0.100  0.554  0.637  1.0
  H  H14  1  0.100  0.054  0.863  1.0
  H  H15  1  0.900  0.446  0.363  1.0
  H  H16  1  0.361  0.559  0.495  1.0
  H  H17  1  0.639  0.941  0.995  1.0
  H  H18  1  0.639  0.441  0.505  1.0
  H  H19  1  0.361  0.059  0.005  1.0
  H  H20  1  0.713  0.156  0.189  1.0
  H  H21  1  0.287  0.344  0.689  1.0
  H  H22  1  0.287  0.844  0.811  1.0
  H  H23  1  0.713  0.656  0.311  1.0
  O  O24  1  0.369  0.625  0.249  1.0
  O  O25  1  0.631  0.875  0.749  1.0
  O  O26  1  0.631  0.375  0.751  1.0
  O  O27  1  0.369  0.125  0.251  1.0
  O  O28  1  0.062  0.234  0.131  1.0
  O  O29  1  0.938  0.266  0.631  1.0
  O  O30  1  0.938  0.766  0.869  1.0
  O  O31  1  0.062  0.734  0.369  1.0
  O  O32  1  0.769  0.098  0.264  1.0
  O  O33  1  0.231  0.402  0.764  1.0
  O  O34  1  0.231  0.902  0.736  1.0
  O  O35  1  0.769  0.598  0.236  1.0
  O  O36  1  0.646  0.731  0.406  1.0
  O  O37  1  0.354  0.769  0.906  1.0
  O  O38  1  0.354  0.269  0.594  1.0
  O  O39  1  0.646  0.231  0.094  1.0
  O  O40  1  0.014  0.061  0.366  1.0
  O  O41  1  0.986  0.439  0.866  1.0
  O  O42  1  0.986  0.939  0.634  1.0
  O  O43  1  0.014  0.561  0.134  1.0
  O  O44  1  0.431  0.843  0.452  1.0
  O  O45  1  0.569  0.657  0.952  1.0
  O  O46  1  0.569  0.157  0.548  1.0
  O  O47  1  0.431  0.343  0.048  1.0
[/CIF]
.