The crystal structure described by Li2Ni3(P2O7)2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(14), and one O(6) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form distorted NiO5 trigonal bipyramids 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, and  an edgeedge with one P(1)O4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(5), one O(6), and one O(9) atom. In the third Ni site, Ni(3) is bonded in a distorted see-saw-like geometry to one O(12), one O(13), one O(14), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Ni(1)O5 trigonal bipyramids. In the third P site, P(3) is bonded to one O(11), one O(13), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra and  a cornercorner with one Ni(1)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(9) atom to form corner-sharing PO4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one P(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Ni(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(2), one Ni(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ni(2), one P(3), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Li(2), one Ni(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(2), one Ni(3), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(3), and one P(4) atom. is represented by the CIF card [CIF]
data_Li2Ni3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.266
_cell_length_b   6.384
_cell_length_c   13.104
_cell_angle_alpha   85.315
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   605.768
_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  0.691  0.538  0.971  1.0
  Li  Li1  1  0.755  0.068  0.600  1.0
  Li  Li2  1  0.255  0.932  0.400  1.0
  Li  Li3  1  0.191  0.462  0.029  1.0
  Ni  Ni4  1  0.989  0.815  0.902  1.0
  Ni  Ni5  1  0.388  0.277  0.725  1.0
  Ni  Ni6  1  0.892  0.578  0.601  1.0
  Ni  Ni7  1  0.392  0.422  0.399  1.0
  Ni  Ni8  1  0.888  0.723  0.275  1.0
  Ni  Ni9  1  0.489  0.185  0.098  1.0
  P  P10  1  0.690  0.082  0.886  1.0
  P  P11  1  0.015  0.354  0.832  1.0
  P  P12  1  0.205  0.859  0.693  1.0
  P  P13  1  0.487  0.629  0.579  1.0
  P  P14  1  0.987  0.371  0.421  1.0
  P  P15  1  0.705  0.141  0.307  1.0
  P  P16  1  0.515  0.646  0.168  1.0
  P  P17  1  0.190  0.918  0.114  1.0
  O  O18  1  0.616  0.227  0.963  1.0
  O  O19  1  0.706  0.848  0.921  1.0
  O  O20  1  0.916  0.132  0.876  1.0
  O  O21  1  0.946  0.505  0.910  1.0
  O  O22  1  0.222  0.319  0.842  1.0
  O  O23  1  0.612  0.132  0.779  1.0
  O  O24  1  0.195  0.839  0.809  1.0
  O  O25  1  0.943  0.395  0.724  1.0
  O  O26  1  0.343  0.661  0.671  1.0
  O  O27  1  0.520  0.391  0.595  1.0
  O  O28  1  0.300  0.055  0.646  1.0
  O  O29  1  0.663  0.757  0.594  1.0
  O  O30  1  0.022  0.828  0.638  1.0
  O  O31  1  0.389  0.687  0.477  1.0
  O  O32  1  0.889  0.313  0.523  1.0
  O  O33  1  0.522  0.172  0.362  1.0
  O  O34  1  0.163  0.243  0.406  1.0
  O  O35  1  0.800  0.945  0.354  1.0
  O  O36  1  0.020  0.609  0.405  1.0
  O  O37  1  0.843  0.339  0.329  1.0
  O  O38  1  0.443  0.605  0.276  1.0
  O  O39  1  0.695  0.161  0.191  1.0
  O  O40  1  0.112  0.868  0.221  1.0
  O  O41  1  0.722  0.681  0.158  1.0
  O  O42  1  0.446  0.495  0.090  1.0
  O  O43  1  0.416  0.868  0.124  1.0
  O  O44  1  0.206  0.152  0.079  1.0
  O  O45  1  0.116  0.773  0.037  1.0
[/CIF]
.
The crystal structure described by Li2Ni3(P2O7)2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(14), and one O(6) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form distorted NiO5 trigonal bipyramids 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, and  an edgeedge with one P(1)O4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(5), one O(6), and one O(9) atom. In the third Ni site, Ni(3) is bonded in a distorted see-saw-like geometry to one O(12), one O(13), one O(14), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Ni(1)O5 trigonal bipyramids. In the third P site, P(3) is bonded to one O(11), one O(13), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra and  a cornercorner with one Ni(1)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(9) atom to form corner-sharing PO4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one P(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Ni(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(2), one Ni(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ni(2), one P(3), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Li(2), one Ni(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(2), one Ni(3), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(3), and one P(4) atom. is represented by the CIF card [CIF]
data_Li2Ni3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.266
_cell_length_b   6.384
_cell_length_c   13.104
_cell_angle_alpha   85.315
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   605.768
_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  0.691  0.538  0.971  1.0
  Li  Li1  1  0.755  0.068  0.600  1.0
  Li  Li2  1  0.255  0.932  0.400  1.0
  Li  Li3  1  0.191  0.462  0.029  1.0
  Ni  Ni4  1  0.989  0.815  0.902  1.0
  Ni  Ni5  1  0.388  0.277  0.725  1.0
  Ni  Ni6  1  0.892  0.578  0.601  1.0
  Ni  Ni7  1  0.392  0.422  0.399  1.0
  Ni  Ni8  1  0.888  0.723  0.275  1.0
  Ni  Ni9  1  0.489  0.185  0.098  1.0
  P  P10  1  0.690  0.082  0.886  1.0
  P  P11  1  0.015  0.354  0.832  1.0
  P  P12  1  0.205  0.859  0.693  1.0
  P  P13  1  0.487  0.629  0.579  1.0
  P  P14  1  0.987  0.371  0.421  1.0
  P  P15  1  0.705  0.141  0.307  1.0
  P  P16  1  0.515  0.646  0.168  1.0
  P  P17  1  0.190  0.918  0.114  1.0
  O  O18  1  0.616  0.227  0.963  1.0
  O  O19  1  0.706  0.848  0.921  1.0
  O  O20  1  0.916  0.132  0.876  1.0
  O  O21  1  0.946  0.505  0.910  1.0
  O  O22  1  0.222  0.319  0.842  1.0
  O  O23  1  0.612  0.132  0.779  1.0
  O  O24  1  0.195  0.839  0.809  1.0
  O  O25  1  0.943  0.395  0.724  1.0
  O  O26  1  0.343  0.661  0.671  1.0
  O  O27  1  0.520  0.391  0.595  1.0
  O  O28  1  0.300  0.055  0.646  1.0
  O  O29  1  0.663  0.757  0.594  1.0
  O  O30  1  0.022  0.828  0.638  1.0
  O  O31  1  0.389  0.687  0.477  1.0
  O  O32  1  0.889  0.313  0.523  1.0
  O  O33  1  0.522  0.172  0.362  1.0
  O  O34  1  0.163  0.243  0.406  1.0
  O  O35  1  0.800  0.945  0.354  1.0
  O  O36  1  0.020  0.609  0.405  1.0
  O  O37  1  0.843  0.339  0.329  1.0
  O  O38  1  0.443  0.605  0.276  1.0
  O  O39  1  0.695  0.161  0.191  1.0
  O  O40  1  0.112  0.868  0.221  1.0
  O  O41  1  0.722  0.681  0.158  1.0
  O  O42  1  0.446  0.495  0.090  1.0
  O  O43  1  0.416  0.868  0.124  1.0
  O  O44  1  0.206  0.152  0.079  1.0
  O  O45  1  0.116  0.773  0.037  1.0
[/CIF]
.