The compound described by Na2Ni(HPO3)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one H(2), one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Ni(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent P(1)HO3 tetrahedra and corners with three equivalent P(2)HO3 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one H(2), one O(4), and two equivalent O(1) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second P site, P(2) is bonded to one H(1), one O(2), and two equivalent O(3) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(2) atom. In the second H site, H(2) is bonded in a bent 150 degrees geometry to one Na(1) and one P(1) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Ni(1), and one P(2) atom. In the second O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Ni(1), and one P(2) atom. In the third O site, O(4) is bonded in a 3-coordinate geometry to one Na(2), one Ni(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ni(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na2NiP2(HO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.417
_cell_length_b   9.249
_cell_length_c   12.162
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   609.382
_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
  Na  Na0  1  0.250  0.724  0.095  1.0
  Na  Na1  1  0.250  0.776  0.595  1.0
  Na  Na2  1  0.750  0.276  0.905  1.0
  Na  Na3  1  0.750  0.224  0.405  1.0
  Na  Na4  1  0.250  0.176  0.722  1.0
  Na  Na5  1  0.250  0.324  0.222  1.0
  Na  Na6  1  0.750  0.824  0.278  1.0
  Na  Na7  1  0.750  0.676  0.778  1.0
  Ni  Ni8  1  0.250  0.865  0.840  1.0
  Ni  Ni9  1  0.250  0.635  0.340  1.0
  Ni  Ni10  1  0.750  0.135  0.160  1.0
  Ni  Ni11  1  0.750  0.365  0.660  1.0
  P  P12  1  0.750  0.876  0.982  1.0
  P  P13  1  0.750  0.624  0.482  1.0
  P  P14  1  0.250  0.124  0.018  1.0
  P  P15  1  0.250  0.376  0.518  1.0
  P  P16  1  0.250  0.500  0.814  1.0
  P  P17  1  0.250  0.000  0.314  1.0
  P  P18  1  0.750  0.500  0.186  1.0
  P  P19  1  0.750  1.000  0.686  1.0
  H  H20  1  0.250  0.506  0.930  1.0
  H  H21  1  0.250  0.994  0.430  1.0
  H  H22  1  0.750  0.494  0.070  1.0
  H  H23  1  0.750  0.006  0.570  1.0
  H  H24  1  0.750  0.003  0.919  1.0
  H  H25  1  0.750  0.497  0.419  1.0
  H  H26  1  0.250  0.997  0.081  1.0
  H  H27  1  0.250  0.503  0.581  1.0
  O  O28  1  0.983  0.791  0.949  1.0
  O  O29  1  0.517  0.709  0.449  1.0
  O  O30  1  0.483  0.209  0.051  1.0
  O  O31  1  0.017  0.291  0.551  1.0
  O  O32  1  0.017  0.209  0.051  1.0
  O  O33  1  0.483  0.291  0.551  1.0
  O  O34  1  0.517  0.791  0.949  1.0
  O  O35  1  0.983  0.709  0.449  1.0
  O  O36  1  0.250  0.655  0.770  1.0
  O  O37  1  0.250  0.845  0.270  1.0
  O  O38  1  0.750  0.345  0.230  1.0
  O  O39  1  0.750  0.155  0.730  1.0
  O  O40  1  0.987  0.916  0.716  1.0
  O  O41  1  0.513  0.584  0.216  1.0
  O  O42  1  0.487  0.084  0.284  1.0
  O  O43  1  0.013  0.416  0.784  1.0
  O  O44  1  0.013  0.084  0.284  1.0
  O  O45  1  0.487  0.416  0.784  1.0
  O  O46  1  0.513  0.916  0.716  1.0
  O  O47  1  0.987  0.584  0.216  1.0
  O  O48  1  0.250  0.078  0.896  1.0
  O  O49  1  0.250  0.422  0.396  1.0
  O  O50  1  0.750  0.922  0.104  1.0
  O  O51  1  0.750  0.578  0.604  1.0
[/CIF]
.
The compound described by Na2Ni(HPO3)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one H(2), one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Ni(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent P(1)HO3 tetrahedra and corners with three equivalent P(2)HO3 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one H(2), one O(4), and two equivalent O(1) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second P site, P(2) is bonded to one H(1), one O(2), and two equivalent O(3) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(2) atom. In the second H site, H(2) is bonded in a bent 150 degrees geometry to one Na(1) and one P(1) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Ni(1), and one P(2) atom. In the second O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Ni(1), and one P(2) atom. In the third O site, O(4) is bonded in a 3-coordinate geometry to one Na(2), one Ni(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ni(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na2NiP2(HO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.417
_cell_length_b   9.249
_cell_length_c   12.162
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   609.382
_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
  Na  Na0  1  0.250  0.724  0.095  1.0
  Na  Na1  1  0.250  0.776  0.595  1.0
  Na  Na2  1  0.750  0.276  0.905  1.0
  Na  Na3  1  0.750  0.224  0.405  1.0
  Na  Na4  1  0.250  0.176  0.722  1.0
  Na  Na5  1  0.250  0.324  0.222  1.0
  Na  Na6  1  0.750  0.824  0.278  1.0
  Na  Na7  1  0.750  0.676  0.778  1.0
  Ni  Ni8  1  0.250  0.865  0.840  1.0
  Ni  Ni9  1  0.250  0.635  0.340  1.0
  Ni  Ni10  1  0.750  0.135  0.160  1.0
  Ni  Ni11  1  0.750  0.365  0.660  1.0
  P  P12  1  0.750  0.876  0.982  1.0
  P  P13  1  0.750  0.624  0.482  1.0
  P  P14  1  0.250  0.124  0.018  1.0
  P  P15  1  0.250  0.376  0.518  1.0
  P  P16  1  0.250  0.500  0.814  1.0
  P  P17  1  0.250  0.000  0.314  1.0
  P  P18  1  0.750  0.500  0.186  1.0
  P  P19  1  0.750  1.000  0.686  1.0
  H  H20  1  0.250  0.506  0.930  1.0
  H  H21  1  0.250  0.994  0.430  1.0
  H  H22  1  0.750  0.494  0.070  1.0
  H  H23  1  0.750  0.006  0.570  1.0
  H  H24  1  0.750  0.003  0.919  1.0
  H  H25  1  0.750  0.497  0.419  1.0
  H  H26  1  0.250  0.997  0.081  1.0
  H  H27  1  0.250  0.503  0.581  1.0
  O  O28  1  0.983  0.791  0.949  1.0
  O  O29  1  0.517  0.709  0.449  1.0
  O  O30  1  0.483  0.209  0.051  1.0
  O  O31  1  0.017  0.291  0.551  1.0
  O  O32  1  0.017  0.209  0.051  1.0
  O  O33  1  0.483  0.291  0.551  1.0
  O  O34  1  0.517  0.791  0.949  1.0
  O  O35  1  0.983  0.709  0.449  1.0
  O  O36  1  0.250  0.655  0.770  1.0
  O  O37  1  0.250  0.845  0.270  1.0
  O  O38  1  0.750  0.345  0.230  1.0
  O  O39  1  0.750  0.155  0.730  1.0
  O  O40  1  0.987  0.916  0.716  1.0
  O  O41  1  0.513  0.584  0.216  1.0
  O  O42  1  0.487  0.084  0.284  1.0
  O  O43  1  0.013  0.416  0.784  1.0
  O  O44  1  0.013  0.084  0.284  1.0
  O  O45  1  0.487  0.416  0.784  1.0
  O  O46  1  0.513  0.916  0.716  1.0
  O  O47  1  0.987  0.584  0.216  1.0
  O  O48  1  0.250  0.078  0.896  1.0
  O  O49  1  0.250  0.422  0.396  1.0
  O  O50  1  0.750  0.922  0.104  1.0
  O  O51  1  0.750  0.578  0.604  1.0
[/CIF]
.