The material described by Li2Ni(PO3)5 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(8) atoms. Ni(1) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the third P site, P(3) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form corner-sharing PO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one P(3) atom. In the fourth O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one P(3) atom. In the fifth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the sixth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the eighth O site, O(7) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the ninth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(2) atom. is represented by the CIF file [CIF]
data_Li2Ni(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.371
_cell_length_b   5.159
_cell_length_c   8.805
_cell_angle_alpha   78.523
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   595.152
_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  0.884  0.936  0.102  1.0
  Li  Li1  1  0.616  0.936  0.102  1.0
  Li  Li2  1  0.116  0.064  0.898  1.0
  Li  Li3  1  0.384  0.064  0.898  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  P  P6  1  0.639  0.006  0.515  1.0
  P  P7  1  0.076  0.341  0.187  1.0
  P  P8  1  0.139  0.994  0.485  1.0
  P  P9  1  0.750  0.456  0.011  1.0
  P  P10  1  0.924  0.659  0.813  1.0
  P  P11  1  0.361  0.994  0.485  1.0
  P  P12  1  0.861  0.006  0.515  1.0
  P  P13  1  0.424  0.341  0.187  1.0
  P  P14  1  0.250  0.544  0.989  1.0
  P  P15  1  0.576  0.659  0.813  1.0
  O  O16  1  0.855  0.863  0.693  1.0
  O  O17  1  0.250  0.287  0.935  1.0
  O  O18  1  0.250  0.806  0.880  1.0
  O  O19  1  0.007  0.486  0.279  1.0
  O  O20  1  0.343  0.554  0.108  1.0
  O  O21  1  0.750  0.964  0.459  1.0
  O  O22  1  0.750  0.194  0.120  1.0
  O  O23  1  0.645  0.863  0.693  1.0
  O  O24  1  0.657  0.446  0.892  1.0
  O  O25  1  0.145  0.137  0.307  1.0
  O  O26  1  0.250  0.036  0.541  1.0
  O  O27  1  0.125  0.700  0.494  1.0
  O  O28  1  0.625  0.300  0.506  1.0
  O  O29  1  0.750  0.713  0.065  1.0
  O  O30  1  0.969  0.804  0.926  1.0
  O  O31  1  0.875  0.300  0.506  1.0
  O  O32  1  0.469  0.196  0.074  1.0
  O  O33  1  0.572  0.860  0.423  1.0
  O  O34  1  0.157  0.554  0.108  1.0
  O  O35  1  0.843  0.446  0.892  1.0
  O  O36  1  0.072  0.140  0.577  1.0
  O  O37  1  0.928  0.860  0.423  1.0
  O  O38  1  0.031  0.196  0.074  1.0
  O  O39  1  0.355  0.137  0.307  1.0
  O  O40  1  0.993  0.514  0.721  1.0
  O  O41  1  0.375  0.700  0.494  1.0
  O  O42  1  0.428  0.140  0.577  1.0
  O  O43  1  0.493  0.486  0.279  1.0
  O  O44  1  0.507  0.514  0.721  1.0
  O  O45  1  0.531  0.804  0.926  1.0
[/CIF]
.
The material described by Li2Ni(PO3)5 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(8) atoms. Ni(1) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the third P site, P(3) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form corner-sharing PO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one P(3) atom. In the fourth O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one P(3) atom. In the fifth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the sixth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the eighth O site, O(7) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the ninth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(2) atom. is represented by the CIF file [CIF]
data_Li2Ni(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.371
_cell_length_b   5.159
_cell_length_c   8.805
_cell_angle_alpha   78.523
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   595.152
_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  0.884  0.936  0.102  1.0
  Li  Li1  1  0.616  0.936  0.102  1.0
  Li  Li2  1  0.116  0.064  0.898  1.0
  Li  Li3  1  0.384  0.064  0.898  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  P  P6  1  0.639  0.006  0.515  1.0
  P  P7  1  0.076  0.341  0.187  1.0
  P  P8  1  0.139  0.994  0.485  1.0
  P  P9  1  0.750  0.456  0.011  1.0
  P  P10  1  0.924  0.659  0.813  1.0
  P  P11  1  0.361  0.994  0.485  1.0
  P  P12  1  0.861  0.006  0.515  1.0
  P  P13  1  0.424  0.341  0.187  1.0
  P  P14  1  0.250  0.544  0.989  1.0
  P  P15  1  0.576  0.659  0.813  1.0
  O  O16  1  0.855  0.863  0.693  1.0
  O  O17  1  0.250  0.287  0.935  1.0
  O  O18  1  0.250  0.806  0.880  1.0
  O  O19  1  0.007  0.486  0.279  1.0
  O  O20  1  0.343  0.554  0.108  1.0
  O  O21  1  0.750  0.964  0.459  1.0
  O  O22  1  0.750  0.194  0.120  1.0
  O  O23  1  0.645  0.863  0.693  1.0
  O  O24  1  0.657  0.446  0.892  1.0
  O  O25  1  0.145  0.137  0.307  1.0
  O  O26  1  0.250  0.036  0.541  1.0
  O  O27  1  0.125  0.700  0.494  1.0
  O  O28  1  0.625  0.300  0.506  1.0
  O  O29  1  0.750  0.713  0.065  1.0
  O  O30  1  0.969  0.804  0.926  1.0
  O  O31  1  0.875  0.300  0.506  1.0
  O  O32  1  0.469  0.196  0.074  1.0
  O  O33  1  0.572  0.860  0.423  1.0
  O  O34  1  0.157  0.554  0.108  1.0
  O  O35  1  0.843  0.446  0.892  1.0
  O  O36  1  0.072  0.140  0.577  1.0
  O  O37  1  0.928  0.860  0.423  1.0
  O  O38  1  0.031  0.196  0.074  1.0
  O  O39  1  0.355  0.137  0.307  1.0
  O  O40  1  0.993  0.514  0.721  1.0
  O  O41  1  0.375  0.700  0.494  1.0
  O  O42  1  0.428  0.140  0.577  1.0
  O  O43  1  0.493  0.486  0.279  1.0
  O  O44  1  0.507  0.514  0.721  1.0
  O  O45  1  0.531  0.804  0.926  1.0
[/CIF]
.