The material structure described by Ni3Se3O10 crystallizes in the triclinic P-1 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(6), one O(8), and two equivalent O(10) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(5), one O(7), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one O(10), one O(6), and one O(8) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(9) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(5) 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(2), one Ni(3), and one Se(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) 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 bent 150 degrees geometry to one 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(4), and one Se(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Ni(4), and one Se(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Ni(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Ni(1), one Ni(3), and one Se(1) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to two equivalent Ni(2) and one Se(2) atom. In the tenth O site, O(10) is bonded to one Ni(2), two equivalent Ni(1), and one Se(1) atom to form distorted edge-sharing ONi3Se trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni3Se3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.175
_cell_length_b   8.217
_cell_length_c   8.310
_cell_angle_alpha   61.590
_cell_angle_beta   70.621
_cell_angle_gamma   68.052
_symmetry_Int_Tables_number   1
_cell_volume   447.235
_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  0.869  0.712  0.396  1.0
  Ni  Ni1  1  0.131  0.288  0.604  1.0
  Ni  Ni2  1  0.970  0.341  0.210  1.0
  Ni  Ni3  1  0.030  0.659  0.790  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  Se  Se6  1  0.235  0.572  0.230  1.0
  Se  Se7  1  0.765  0.428  0.770  1.0
  Se  Se8  1  0.327  0.200  0.949  1.0
  Se  Se9  1  0.673  0.800  0.051  1.0
  Se  Se10  1  0.324  0.830  0.693  1.0
  Se  Se11  1  0.676  0.170  0.307  1.0
  O  O12  1  0.715  0.306  0.390  1.0
  O  O13  1  0.285  0.694  0.610  1.0
  O  O14  1  0.268  0.063  0.530  1.0
  O  O15  1  0.732  0.937  0.470  1.0
  O  O16  1  0.214  0.131  0.856  1.0
  O  O17  1  0.786  0.869  0.144  1.0
  O  O18  1  0.486  0.288  0.767  1.0
  O  O19  1  0.514  0.712  0.233  1.0
  O  O20  1  0.134  0.809  0.873  1.0
  O  O21  1  0.866  0.191  0.127  1.0
  O  O22  1  0.894  0.210  0.761  1.0
  O  O23  1  0.106  0.790  0.239  1.0
  O  O24  1  0.877  0.908  0.682  1.0
  O  O25  1  0.123  0.092  0.318  1.0
  O  O26  1  0.314  0.442  0.439  1.0
  O  O27  1  0.686  0.558  0.561  1.0
  O  O28  1  0.169  0.404  0.977  1.0
  O  O29  1  0.831  0.596  0.023  1.0
  O  O30  1  0.049  0.466  0.331  1.0
  O  O31  1  0.951  0.534  0.669  1.0
[/CIF]
.
The material structure described by Ni3Se3O10 crystallizes in the triclinic P-1 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(6), one O(8), and two equivalent O(10) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(5), one O(7), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one O(10), one O(6), and one O(8) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(9) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(5) 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(2), one Ni(3), and one Se(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) 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 bent 150 degrees geometry to one 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(4), and one Se(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Ni(4), and one Se(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Ni(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Ni(1), one Ni(3), and one Se(1) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to two equivalent Ni(2) and one Se(2) atom. In the tenth O site, O(10) is bonded to one Ni(2), two equivalent Ni(1), and one Se(1) atom to form distorted edge-sharing ONi3Se trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni3Se3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.175
_cell_length_b   8.217
_cell_length_c   8.310
_cell_angle_alpha   61.590
_cell_angle_beta   70.621
_cell_angle_gamma   68.052
_symmetry_Int_Tables_number   1
_cell_volume   447.235
_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  0.869  0.712  0.396  1.0
  Ni  Ni1  1  0.131  0.288  0.604  1.0
  Ni  Ni2  1  0.970  0.341  0.210  1.0
  Ni  Ni3  1  0.030  0.659  0.790  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  Se  Se6  1  0.235  0.572  0.230  1.0
  Se  Se7  1  0.765  0.428  0.770  1.0
  Se  Se8  1  0.327  0.200  0.949  1.0
  Se  Se9  1  0.673  0.800  0.051  1.0
  Se  Se10  1  0.324  0.830  0.693  1.0
  Se  Se11  1  0.676  0.170  0.307  1.0
  O  O12  1  0.715  0.306  0.390  1.0
  O  O13  1  0.285  0.694  0.610  1.0
  O  O14  1  0.268  0.063  0.530  1.0
  O  O15  1  0.732  0.937  0.470  1.0
  O  O16  1  0.214  0.131  0.856  1.0
  O  O17  1  0.786  0.869  0.144  1.0
  O  O18  1  0.486  0.288  0.767  1.0
  O  O19  1  0.514  0.712  0.233  1.0
  O  O20  1  0.134  0.809  0.873  1.0
  O  O21  1  0.866  0.191  0.127  1.0
  O  O22  1  0.894  0.210  0.761  1.0
  O  O23  1  0.106  0.790  0.239  1.0
  O  O24  1  0.877  0.908  0.682  1.0
  O  O25  1  0.123  0.092  0.318  1.0
  O  O26  1  0.314  0.442  0.439  1.0
  O  O27  1  0.686  0.558  0.561  1.0
  O  O28  1  0.169  0.404  0.977  1.0
  O  O29  1  0.831  0.596  0.023  1.0
  O  O30  1  0.049  0.466  0.331  1.0
  O  O31  1  0.951  0.534  0.669  1.0
[/CIF]
.