The compound described by LiNi2H3(P2O7)2 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(11), one O(4), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(12), one O(3), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-51°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(13), and one O(14) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-52°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(4) and one O(5) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(6) and one O(7) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(1) and one O(14) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ni(1), one P(3), and one H(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one P(3), and one H(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(2) and one H(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Ni(1), one P(1), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(4) and one H(3) atom. is represented by the CIF card [CIF]
data_LiNi2P4H3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.518
_cell_length_b   8.518
_cell_length_c   8.886
_cell_angle_alpha   69.219
_cell_angle_beta   69.219
_cell_angle_gamma   99.243
_symmetry_Int_Tables_number   1
_cell_volume   532.429
_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
  Li  Li0  1  0.364  0.644  0.743  1.0
  Li  Li1  1  0.644  0.364  0.243  1.0
  Ni  Ni2  1  0.503  0.002  0.003  1.0
  Ni  Ni3  1  0.405  0.595  0.251  1.0
  Ni  Ni4  1  0.595  0.405  0.751  1.0
  Ni  Ni5  1  0.002  0.503  0.503  1.0
  P  P6  1  0.286  0.855  0.435  1.0
  P  P7  1  0.677  0.766  0.817  1.0
  P  P8  1  0.144  0.720  0.072  1.0
  P  P9  1  0.766  0.677  0.317  1.0
  P  P10  1  0.232  0.324  0.685  1.0
  P  P11  1  0.855  0.286  0.935  1.0
  P  P12  1  0.324  0.232  0.185  1.0
  P  P13  1  0.720  0.144  0.572  1.0
  H  H14  1  0.025  0.527  0.991  1.0
  H  H15  1  0.731  0.941  0.207  1.0
  H  H16  1  0.941  0.731  0.707  1.0
  H  H17  1  0.062  0.269  0.290  1.0
  H  H18  1  0.269  0.062  0.790  1.0
  H  H19  1  0.527  0.025  0.491  1.0
  O  O20  1  0.278  0.905  0.961  1.0
  O  O21  1  0.735  0.950  0.643  1.0
  O  O22  1  0.575  0.787  0.984  1.0
  O  O23  1  0.380  0.860  0.551  1.0
  O  O24  1  0.143  0.629  0.946  1.0
  O  O25  1  0.855  0.744  0.813  1.0
  O  O26  1  0.096  0.724  0.540  1.0
  O  O27  1  0.396  0.831  0.270  1.0
  O  O28  1  0.744  0.855  0.313  1.0
  O  O29  1  0.569  0.625  0.793  1.0
  O  O30  1  0.167  0.603  0.232  1.0
  O  O31  1  0.950  0.735  0.143  1.0
  O  O32  1  0.787  0.575  0.484  1.0
  O  O33  1  0.375  0.431  0.706  1.0
  O  O34  1  0.625  0.569  0.293  1.0
  O  O35  1  0.213  0.426  0.517  1.0
  O  O36  1  0.050  0.266  0.857  1.0
  O  O37  1  0.831  0.396  0.770  1.0
  O  O38  1  0.431  0.375  0.206  1.0
  O  O39  1  0.257  0.147  0.685  1.0
  O  O40  1  0.603  0.167  0.732  1.0
  O  O41  1  0.905  0.278  0.461  1.0
  O  O42  1  0.147  0.257  0.185  1.0
  O  O43  1  0.860  0.380  0.051  1.0
  O  O44  1  0.629  0.143  0.446  1.0
  O  O45  1  0.426  0.213  0.017  1.0
  O  O46  1  0.266  0.050  0.357  1.0
  O  O47  1  0.724  0.096  0.040  1.0
[/CIF]
.
The compound described by LiNi2H3(P2O7)2 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(11), one O(4), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(12), one O(3), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-51°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(13), and one O(14) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-52°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(4) and one O(5) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(6) and one O(7) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(1) and one O(14) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ni(1), one P(3), and one H(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one P(3), and one H(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(2) and one H(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Ni(1), one P(1), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(4) and one H(3) atom. is represented by the CIF card [CIF]
data_LiNi2P4H3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.518
_cell_length_b   8.518
_cell_length_c   8.886
_cell_angle_alpha   69.219
_cell_angle_beta   69.219
_cell_angle_gamma   99.243
_symmetry_Int_Tables_number   1
_cell_volume   532.429
_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
  Li  Li0  1  0.364  0.644  0.743  1.0
  Li  Li1  1  0.644  0.364  0.243  1.0
  Ni  Ni2  1  0.503  0.002  0.003  1.0
  Ni  Ni3  1  0.405  0.595  0.251  1.0
  Ni  Ni4  1  0.595  0.405  0.751  1.0
  Ni  Ni5  1  0.002  0.503  0.503  1.0
  P  P6  1  0.286  0.855  0.435  1.0
  P  P7  1  0.677  0.766  0.817  1.0
  P  P8  1  0.144  0.720  0.072  1.0
  P  P9  1  0.766  0.677  0.317  1.0
  P  P10  1  0.232  0.324  0.685  1.0
  P  P11  1  0.855  0.286  0.935  1.0
  P  P12  1  0.324  0.232  0.185  1.0
  P  P13  1  0.720  0.144  0.572  1.0
  H  H14  1  0.025  0.527  0.991  1.0
  H  H15  1  0.731  0.941  0.207  1.0
  H  H16  1  0.941  0.731  0.707  1.0
  H  H17  1  0.062  0.269  0.290  1.0
  H  H18  1  0.269  0.062  0.790  1.0
  H  H19  1  0.527  0.025  0.491  1.0
  O  O20  1  0.278  0.905  0.961  1.0
  O  O21  1  0.735  0.950  0.643  1.0
  O  O22  1  0.575  0.787  0.984  1.0
  O  O23  1  0.380  0.860  0.551  1.0
  O  O24  1  0.143  0.629  0.946  1.0
  O  O25  1  0.855  0.744  0.813  1.0
  O  O26  1  0.096  0.724  0.540  1.0
  O  O27  1  0.396  0.831  0.270  1.0
  O  O28  1  0.744  0.855  0.313  1.0
  O  O29  1  0.569  0.625  0.793  1.0
  O  O30  1  0.167  0.603  0.232  1.0
  O  O31  1  0.950  0.735  0.143  1.0
  O  O32  1  0.787  0.575  0.484  1.0
  O  O33  1  0.375  0.431  0.706  1.0
  O  O34  1  0.625  0.569  0.293  1.0
  O  O35  1  0.213  0.426  0.517  1.0
  O  O36  1  0.050  0.266  0.857  1.0
  O  O37  1  0.831  0.396  0.770  1.0
  O  O38  1  0.431  0.375  0.206  1.0
  O  O39  1  0.257  0.147  0.685  1.0
  O  O40  1  0.603  0.167  0.732  1.0
  O  O41  1  0.905  0.278  0.461  1.0
  O  O42  1  0.147  0.257  0.185  1.0
  O  O43  1  0.860  0.380  0.051  1.0
  O  O44  1  0.629  0.143  0.446  1.0
  O  O45  1  0.426  0.213  0.017  1.0
  O  O46  1  0.266  0.050  0.357  1.0
  O  O47  1  0.724  0.096  0.040  1.0
[/CIF]
.