The crystal structure described by NiH4SeO5 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form edge-sharing NiO6 octahedra. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) and one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(1) and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(1), and one H(2) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one Ni(1), one H(1), and one Se(1) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one Ni(1), one H(3), and one Se(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one Se(1) atom. In the fifth O site, O(3) is bonded in a distorted water-like geometry to one Ni(1), one H(3), and one H(4) atom. is represented by the CIF card [CIF]
data_NiH4SeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.836
_cell_length_b   6.502
_cell_length_c   9.177
_cell_angle_alpha   55.202
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.961
_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
  Ni  Ni0  1  0.638  0.333  0.018  1.0
  Ni  Ni1  1  0.138  0.667  0.482  1.0
  Ni  Ni2  1  0.362  0.667  0.982  1.0
  Ni  Ni3  1  0.862  0.333  0.518  1.0
  H  H4  1  0.635  0.426  0.642  1.0
  H  H5  1  0.135  0.574  0.858  1.0
  H  H6  1  0.365  0.574  0.358  1.0
  H  H7  1  0.865  0.426  0.142  1.0
  H  H8  1  0.577  0.197  0.631  1.0
  H  H9  1  0.077  0.803  0.869  1.0
  H  H10  1  0.423  0.803  0.369  1.0
  H  H11  1  0.923  0.197  0.131  1.0
  H  H12  1  0.147  0.929  0.128  1.0
  H  H13  1  0.647  0.071  0.372  1.0
  H  H14  1  0.017  0.197  0.794  1.0
  H  H15  1  0.517  0.803  0.706  1.0
  H  H16  1  0.983  0.803  0.206  1.0
  H  H17  1  0.483  0.197  0.294  1.0
  H  H18  1  0.853  0.071  0.872  1.0
  H  H19  1  0.353  0.929  0.628  1.0
  Se  Se20  1  0.155  0.261  0.338  1.0
  Se  Se21  1  0.655  0.739  0.162  1.0
  Se  Se22  1  0.845  0.739  0.662  1.0
  Se  Se23  1  0.345  0.261  0.838  1.0
  O  O24  1  0.204  0.957  0.503  1.0
  O  O25  1  0.908  0.638  0.533  1.0
  O  O26  1  0.796  0.043  0.497  1.0
  O  O27  1  0.296  0.957  0.003  1.0
  O  O28  1  0.563  0.093  0.290  1.0
  O  O29  1  0.063  0.907  0.210  1.0
  O  O30  1  0.408  0.362  0.967  1.0
  O  O31  1  0.937  0.093  0.790  1.0
  O  O32  1  0.858  0.347  0.075  1.0
  O  O33  1  0.358  0.653  0.425  1.0
  O  O34  1  0.142  0.653  0.925  1.0
  O  O35  1  0.642  0.347  0.575  1.0
  O  O36  1  0.092  0.362  0.467  1.0
  O  O37  1  0.592  0.638  0.033  1.0
  O  O38  1  0.169  0.408  0.766  1.0
  O  O39  1  0.669  0.592  0.734  1.0
  O  O40  1  0.831  0.592  0.234  1.0
  O  O41  1  0.331  0.408  0.266  1.0
  O  O42  1  0.704  0.043  0.997  1.0
  O  O43  1  0.437  0.907  0.710  1.0
[/CIF]
.
The crystal structure described by NiH4SeO5 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form edge-sharing NiO6 octahedra. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) and one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(1) and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(1), and one H(2) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one Ni(1), one H(1), and one Se(1) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one Ni(1), one H(3), and one Se(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one Se(1) atom. In the fifth O site, O(3) is bonded in a distorted water-like geometry to one Ni(1), one H(3), and one H(4) atom. is represented by the CIF card [CIF]
data_NiH4SeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.836
_cell_length_b   6.502
_cell_length_c   9.177
_cell_angle_alpha   55.202
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.961
_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
  Ni  Ni0  1  0.638  0.333  0.018  1.0
  Ni  Ni1  1  0.138  0.667  0.482  1.0
  Ni  Ni2  1  0.362  0.667  0.982  1.0
  Ni  Ni3  1  0.862  0.333  0.518  1.0
  H  H4  1  0.635  0.426  0.642  1.0
  H  H5  1  0.135  0.574  0.858  1.0
  H  H6  1  0.365  0.574  0.358  1.0
  H  H7  1  0.865  0.426  0.142  1.0
  H  H8  1  0.577  0.197  0.631  1.0
  H  H9  1  0.077  0.803  0.869  1.0
  H  H10  1  0.423  0.803  0.369  1.0
  H  H11  1  0.923  0.197  0.131  1.0
  H  H12  1  0.147  0.929  0.128  1.0
  H  H13  1  0.647  0.071  0.372  1.0
  H  H14  1  0.017  0.197  0.794  1.0
  H  H15  1  0.517  0.803  0.706  1.0
  H  H16  1  0.983  0.803  0.206  1.0
  H  H17  1  0.483  0.197  0.294  1.0
  H  H18  1  0.853  0.071  0.872  1.0
  H  H19  1  0.353  0.929  0.628  1.0
  Se  Se20  1  0.155  0.261  0.338  1.0
  Se  Se21  1  0.655  0.739  0.162  1.0
  Se  Se22  1  0.845  0.739  0.662  1.0
  Se  Se23  1  0.345  0.261  0.838  1.0
  O  O24  1  0.204  0.957  0.503  1.0
  O  O25  1  0.908  0.638  0.533  1.0
  O  O26  1  0.796  0.043  0.497  1.0
  O  O27  1  0.296  0.957  0.003  1.0
  O  O28  1  0.563  0.093  0.290  1.0
  O  O29  1  0.063  0.907  0.210  1.0
  O  O30  1  0.408  0.362  0.967  1.0
  O  O31  1  0.937  0.093  0.790  1.0
  O  O32  1  0.858  0.347  0.075  1.0
  O  O33  1  0.358  0.653  0.425  1.0
  O  O34  1  0.142  0.653  0.925  1.0
  O  O35  1  0.642  0.347  0.575  1.0
  O  O36  1  0.092  0.362  0.467  1.0
  O  O37  1  0.592  0.638  0.033  1.0
  O  O38  1  0.169  0.408  0.766  1.0
  O  O39  1  0.669  0.592  0.734  1.0
  O  O40  1  0.831  0.592  0.234  1.0
  O  O41  1  0.331  0.408  0.266  1.0
  O  O42  1  0.704  0.043  0.997  1.0
  O  O43  1  0.437  0.907  0.710  1.0
[/CIF]
.