The crystal structure described by BaNp(HO2)3 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form corner-sharing NpO6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Np site, Np(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing NpO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Np(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Np(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Np(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Np(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Np(1), one Np(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ba(1), one H(2), and one H(3) atom. is represented by the CIF card [CIF]
data_BaNp(HO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.905
_cell_length_b   7.083
_cell_length_c   7.445
_cell_angle_alpha   89.431
_cell_angle_beta   114.500
_cell_angle_gamma   113.454
_symmetry_Int_Tables_number   1
_cell_volume   298.652
_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
  Ba  Ba0  1  0.292  0.959  0.668  1.0
  Ba  Ba1  1  0.708  0.041  0.332  1.0
  Np  Np2  1  0.000  0.000  0.000  1.0
  Np  Np3  1  0.500  0.500  0.500  1.0
  H  H4  1  0.770  0.548  0.939  1.0
  H  H5  1  0.230  0.452  0.061  1.0
  H  H6  1  0.016  0.544  0.795  1.0
  H  H7  1  0.984  0.456  0.205  1.0
  H  H8  1  0.174  0.464  0.736  1.0
  H  H9  1  0.826  0.536  0.264  1.0
  O  O10  1  0.712  0.011  0.959  1.0
  O  O11  1  0.288  0.989  0.041  1.0
  O  O12  1  0.965  0.060  0.743  1.0
  O  O13  1  0.035  0.940  0.257  1.0
  O  O14  1  0.743  0.656  0.422  1.0
  O  O15  1  0.257  0.344  0.578  1.0
  O  O16  1  0.579  0.268  0.524  1.0
  O  O17  1  0.421  0.732  0.476  1.0
  O  O18  1  0.791  0.637  0.839  1.0
  O  O19  1  0.209  0.363  0.161  1.0
  O  O20  1  0.179  0.572  0.824  1.0
  O  O21  1  0.821  0.428  0.176  1.0
[/CIF]
.
The crystal structure described by BaNp(HO2)3 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form corner-sharing NpO6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Np site, Np(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing NpO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Np(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Np(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Np(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Np(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Np(1), one Np(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ba(1), one H(2), and one H(3) atom. is represented by the CIF card [CIF]
data_BaNp(HO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.905
_cell_length_b   7.083
_cell_length_c   7.445
_cell_angle_alpha   89.431
_cell_angle_beta   114.500
_cell_angle_gamma   113.454
_symmetry_Int_Tables_number   1
_cell_volume   298.652
_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
  Ba  Ba0  1  0.292  0.959  0.668  1.0
  Ba  Ba1  1  0.708  0.041  0.332  1.0
  Np  Np2  1  0.000  0.000  0.000  1.0
  Np  Np3  1  0.500  0.500  0.500  1.0
  H  H4  1  0.770  0.548  0.939  1.0
  H  H5  1  0.230  0.452  0.061  1.0
  H  H6  1  0.016  0.544  0.795  1.0
  H  H7  1  0.984  0.456  0.205  1.0
  H  H8  1  0.174  0.464  0.736  1.0
  H  H9  1  0.826  0.536  0.264  1.0
  O  O10  1  0.712  0.011  0.959  1.0
  O  O11  1  0.288  0.989  0.041  1.0
  O  O12  1  0.965  0.060  0.743  1.0
  O  O13  1  0.035  0.940  0.257  1.0
  O  O14  1  0.743  0.656  0.422  1.0
  O  O15  1  0.257  0.344  0.578  1.0
  O  O16  1  0.579  0.268  0.524  1.0
  O  O17  1  0.421  0.732  0.476  1.0
  O  O18  1  0.791  0.637  0.839  1.0
  O  O19  1  0.209  0.363  0.161  1.0
  O  O20  1  0.179  0.572  0.824  1.0
  O  O21  1  0.821  0.428  0.176  1.0
[/CIF]
.