The crystal structure described by Ni3H2Se3O10 crystallizes in the triclinic P-1 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Ni site, Ni(2) is bonded to two equivalent O(10), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the fourth Ni site, Ni(4) is bonded to one O(3), one O(6), one O(7), one O(9), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(6), one O(7), and one O(8) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(3), and one O(4) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(3), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one Se(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ni(1), one Ni(4), and one Se(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Ni(3) and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one Se(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Ni(2), one Ni(4), and one Se(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(4), and one Se(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ni(3), two equivalent Ni(4), and one Se(1) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Ni(4), one H(1), and one Se(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Ni(2) and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni3H2Se3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.096
_cell_length_b   8.221
_cell_length_c   8.507
_cell_angle_alpha   69.827
_cell_angle_beta   62.912
_cell_angle_gamma   68.042
_symmetry_Int_Tables_number   1
_cell_volume   456.977
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.653  0.037  0.803  1.0
  Ni  Ni3  1  0.347  0.963  0.197  1.0
  Ni  Ni4  1  0.710  0.867  0.391  1.0
  Ni  Ni5  1  0.290  0.133  0.609  1.0
  H  H6  1  0.061  0.189  0.404  1.0
  H  H7  1  0.939  0.811  0.596  1.0
  H  H8  1  0.965  0.124  0.313  1.0
  H  H9  1  0.035  0.876  0.687  1.0
  Se  Se10  1  0.569  0.236  0.236  1.0
  Se  Se11  1  0.431  0.764  0.764  1.0
  Se  Se12  1  0.796  0.668  0.061  1.0
  Se  Se13  1  0.204  0.332  0.939  1.0
  Se  Se14  1  0.173  0.670  0.298  1.0
  Se  Se15  1  0.827  0.330  0.702  1.0
  O  O16  1  0.087  0.130  0.306  1.0
  O  O17  1  0.913  0.870  0.694  1.0
  O  O18  1  0.805  0.140  0.880  1.0
  O  O19  1  0.195  0.860  0.120  1.0
  O  O20  1  0.135  0.212  0.853  1.0
  O  O21  1  0.865  0.788  0.147  1.0
  O  O22  1  0.406  0.173  0.975  1.0
  O  O23  1  0.594  0.827  0.025  1.0
  O  O24  1  0.303  0.714  0.387  1.0
  O  O25  1  0.697  0.286  0.613  1.0
  O  O26  1  0.554  0.689  0.562  1.0
  O  O27  1  0.446  0.311  0.438  1.0
  O  O28  1  0.206  0.897  0.758  1.0
  O  O29  1  0.794  0.103  0.242  1.0
  O  O30  1  0.536  0.947  0.670  1.0
  O  O31  1  0.464  0.053  0.330  1.0
  O  O32  1  0.943  0.728  0.454  1.0
  O  O33  1  0.057  0.272  0.546  1.0
  O  O34  1  0.707  0.512  0.243  1.0
  O  O35  1  0.293  0.488  0.757  1.0
[/CIF]
.
The crystal structure described by Ni3H2Se3O10 crystallizes in the triclinic P-1 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Ni site, Ni(2) is bonded to two equivalent O(10), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the fourth Ni site, Ni(4) is bonded to one O(3), one O(6), one O(7), one O(9), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(6), one O(7), and one O(8) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(3), and one O(4) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(3), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one Se(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ni(1), one Ni(4), and one Se(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Ni(3) and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one Se(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Ni(2), one Ni(4), and one Se(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(4), and one Se(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ni(3), two equivalent Ni(4), and one Se(1) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Ni(4), one H(1), and one Se(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Ni(2) and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni3H2Se3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.096
_cell_length_b   8.221
_cell_length_c   8.507
_cell_angle_alpha   69.827
_cell_angle_beta   62.912
_cell_angle_gamma   68.042
_symmetry_Int_Tables_number   1
_cell_volume   456.977
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.653  0.037  0.803  1.0
  Ni  Ni3  1  0.347  0.963  0.197  1.0
  Ni  Ni4  1  0.710  0.867  0.391  1.0
  Ni  Ni5  1  0.290  0.133  0.609  1.0
  H  H6  1  0.061  0.189  0.404  1.0
  H  H7  1  0.939  0.811  0.596  1.0
  H  H8  1  0.965  0.124  0.313  1.0
  H  H9  1  0.035  0.876  0.687  1.0
  Se  Se10  1  0.569  0.236  0.236  1.0
  Se  Se11  1  0.431  0.764  0.764  1.0
  Se  Se12  1  0.796  0.668  0.061  1.0
  Se  Se13  1  0.204  0.332  0.939  1.0
  Se  Se14  1  0.173  0.670  0.298  1.0
  Se  Se15  1  0.827  0.330  0.702  1.0
  O  O16  1  0.087  0.130  0.306  1.0
  O  O17  1  0.913  0.870  0.694  1.0
  O  O18  1  0.805  0.140  0.880  1.0
  O  O19  1  0.195  0.860  0.120  1.0
  O  O20  1  0.135  0.212  0.853  1.0
  O  O21  1  0.865  0.788  0.147  1.0
  O  O22  1  0.406  0.173  0.975  1.0
  O  O23  1  0.594  0.827  0.025  1.0
  O  O24  1  0.303  0.714  0.387  1.0
  O  O25  1  0.697  0.286  0.613  1.0
  O  O26  1  0.554  0.689  0.562  1.0
  O  O27  1  0.446  0.311  0.438  1.0
  O  O28  1  0.206  0.897  0.758  1.0
  O  O29  1  0.794  0.103  0.242  1.0
  O  O30  1  0.536  0.947  0.670  1.0
  O  O31  1  0.464  0.053  0.330  1.0
  O  O32  1  0.943  0.728  0.454  1.0
  O  O33  1  0.057  0.272  0.546  1.0
  O  O34  1  0.707  0.512  0.243  1.0
  O  O35  1  0.293  0.488  0.757  1.0
[/CIF]
.