data_Nd2H5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   132.39
_cell_angle_beta   132.39
_cell_angle_gamma   69.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2H5
_chemical_formula_sum   'Nd4 H10'
_cell_volume   162.73
_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  0.0  0.71  0.48  1.0
  Nd  Nd1  1  0.0  0.0  0.72  1.0
  Nd  Nd2  1  0.0  0.71  0.04  1.0
  Nd  Nd3  1  0.0  0.0  0.32  1.0
  H  H4  1  0.25  0.36  0.9  1.0
  H  H5  1  0.46  0.36  0.38  1.0
  H  H6  1  0.36  0.75  0.14  1.0
  H  H7  1  0.36  0.97  0.62  1.0
  H  H8  1  0.75  0.36  0.9  1.0
  H  H9  1  0.97  0.36  0.38  1.0
  H  H10  1  0.36  0.46  0.62  1.0
  H  H11  1  0.36  0.25  0.14  1.0
  H  H12  1  0.0  0.71  0.76  1.0
  H  H13  1  0.0  0.0  0.0  1.0

data_Nd2H5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   6.72
_cell_angle_alpha   113.81
_cell_angle_beta   113.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2H5
_chemical_formula_sum   'Nd4 H10'
_cell_volume   162.73
_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  0.32  0.32  0.32  1.0
  Nd  Nd1  1  0.32  0.04  0.32  1.0
  Nd  Nd2  1  0.72  0.72  0.72  1.0
  Nd  Nd3  1  0.77  0.48  0.77  1.0
  H  H4  1  0.0  0.0  0.0  1.0
  H  H5  1  0.02  0.92  0.56  1.0
  H  H6  1  0.02  0.41  0.06  1.0
  H  H7  1  0.05  0.76  0.05  1.0
  H  H8  1  0.16  0.26  0.8  1.0
  H  H9  1  0.39  0.78  0.04  1.0
  H  H10  1  0.54  0.16  0.8  1.0
  H  H11  1  0.54  0.65  0.29  1.0
  H  H12  1  0.65  0.26  0.29  1.0
  H  H13  1  0.89  0.78  0.53  1.0

Nd Nd Nd Nd H H H H H H H H H H
Nd Nd Nd Nd H H H H H H H H H H 0 1 o + o 0 8 - o - 0 9 - o o 1 8 - o o 2 3 o + o 2 12 o o - 2 6 o o o 2 7 o o o 2 8 - o - 3 4 o o o 3 7 o - o 3 9 - o o 4 7 o - o 4 11 o o + 4 6 o o + 5 11 o o o 5 8 o o o 5 10 o o o 6 12 o o - 8 10 o o o 8 13 + o + 8 9 o o + 9 12 + o o 9 13 + o o 9 10 + o o 12 13 o + + 
Nd2H5 crystallizes in the triclinic P1 space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to one Nd(2), one H(4), one H(5), one H(6), one H(7), and one H(9) atom. The Nd(1)-Nd(2) bond length is 1.45 Å. The Nd(1)-H(4) bond length is 2.70 Å. The Nd(1)-H(5) bond length is 2.27 Å. The Nd(1)-H(6) bond length is 2.05 Å. The Nd(1)-H(7) bond length is 2.41 Å. The Nd(1)-H(9) bond length is 1.87 Å. In the second Nd site, Nd(2) is bonded in a 2-coordinate geometry to one Nd(1), one H(1), one H(10), one H(5), and one H(8) atom. The Nd(2)-H(1) bond length is 2.51 Å. The Nd(2)-H(10) bond length is 1.87 Å. The Nd(2)-H(5) bond length is 2.48 Å. The Nd(2)-H(8) bond length is 1.97 Å. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to one Nd(4), one H(1), one H(10), one H(2), one H(3), one H(4), one H(5), and one H(9) atom. The Nd(3)-Nd(4) bond length is 1.54 Å. The Nd(3)-H(1) bond length is 2.41 Å. The Nd(3)-H(10) bond length is 2.10 Å. The Nd(3)-H(2) bond length is 2.93 Å. The Nd(3)-H(3) bond length is 2.05 Å. The Nd(3)-H(4) bond length is 2.27 Å. The Nd(3)-H(5) bond length is 2.70 Å. The Nd(3)-H(9) bond length is 1.87 Å. In the fourth Nd site, Nd(4) is bonded in a 5-coordinate geometry to one Nd(3), one H(1), one H(10), one H(4), and one H(6) atom. The Nd(4)-H(1) bond length is 2.27 Å. The Nd(4)-H(10) bond length is 2.16 Å. The Nd(4)-H(4) bond length is 1.89 Å. The Nd(4)-H(6) bond length is 2.11 Å. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a 3-coordinate geometry to one Nd(2), one Nd(3), and one Nd(4) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one Nd(3) and one H(8) atom. The H(2)-H(8) bond length is 0.93 Å. In the third H site, H(3) is bonded in a single-bond geometry to one Nd(3) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one Nd(1), one Nd(3), and one Nd(4) atom. In the fifth H site, H(5) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Nd(3) atom. In the sixth H site, H(6) is bonded in a linear geometry to one Nd(1) and one Nd(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one Nd(1) atom. In the eighth H site, H(8) is bonded in a distorted bent 150 degrees geometry to one Nd(2) and one H(2) atom. In the ninth H site, H(9) is bonded in a distorted linear geometry to one Nd(1) and one Nd(3) atom. In the tenth H site, H(10) is bonded in a 3-coordinate geometry to one Nd(2), one Nd(3), and one Nd(4) atom.