The crystal structure described by LiNi2(PO3)5 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Ni(1) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(8), one O(9), and two equivalent O(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Li(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 range from 55-71°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(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 71°. In the third P site, P(3) is bonded to one O(3), one O(9), and two equivalent O(7) atoms to form corner-sharing PO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to two equivalent Ni(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ni(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ni(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(3) atom. is represented by the CIF card [CIF]
data_LiNi2(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.024
_cell_length_b   5.137
_cell_length_c   8.535
_cell_angle_alpha   77.936
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   558.366
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.913  0.866  0.149  1.0
  Ni  Ni3  1  0.587  0.866  0.149  1.0
  Ni  Ni4  1  0.413  0.134  0.851  1.0
  Ni  Ni5  1  0.087  0.134  0.851  1.0
  P  P6  1  0.362  0.974  0.506  1.0
  P  P7  1  0.138  0.974  0.506  1.0
  P  P8  1  0.930  0.657  0.813  1.0
  P  P9  1  0.570  0.657  0.813  1.0
  P  P10  1  0.250  0.558  0.973  1.0
  P  P11  1  0.750  0.442  0.027  1.0
  P  P12  1  0.430  0.343  0.187  1.0
  P  P13  1  0.070  0.343  0.187  1.0
  P  P14  1  0.638  0.026  0.494  1.0
  P  P15  1  0.862  0.026  0.494  1.0
  O  O16  1  0.750  0.951  0.447  1.0
  O  O17  1  0.962  0.850  0.918  1.0
  O  O18  1  0.538  0.850  0.918  1.0
  O  O19  1  0.250  0.836  0.876  1.0
  O  O20  1  0.868  0.811  0.665  1.0
  O  O21  1  0.632  0.811  0.665  1.0
  O  O22  1  0.571  0.921  0.375  1.0
  O  O23  1  0.929  0.921  0.375  1.0
  O  O24  1  0.372  0.700  0.480  1.0
  O  O25  1  0.128  0.700  0.480  1.0
  O  O26  1  0.846  0.458  0.907  1.0
  O  O27  1  0.654  0.458  0.907  1.0
  O  O28  1  0.013  0.486  0.763  1.0
  O  O29  1  0.487  0.486  0.763  1.0
  O  O30  1  0.750  0.681  0.106  1.0
  O  O31  1  0.250  0.319  0.894  1.0
  O  O32  1  0.513  0.514  0.237  1.0
  O  O33  1  0.987  0.514  0.237  1.0
  O  O34  1  0.346  0.542  0.093  1.0
  O  O35  1  0.154  0.542  0.093  1.0
  O  O36  1  0.872  0.300  0.520  1.0
  O  O37  1  0.628  0.300  0.520  1.0
  O  O38  1  0.429  0.079  0.625  1.0
  O  O39  1  0.071  0.079  0.625  1.0
  O  O40  1  0.368  0.189  0.335  1.0
  O  O41  1  0.132  0.189  0.335  1.0
  O  O42  1  0.750  0.164  0.124  1.0
  O  O43  1  0.462  0.150  0.082  1.0
  O  O44  1  0.038  0.150  0.082  1.0
  O  O45  1  0.250  0.049  0.553  1.0
[/CIF]
.
The crystal structure described by LiNi2(PO3)5 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Ni(1) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(8), one O(9), and two equivalent O(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Li(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 range from 55-71°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(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 71°. In the third P site, P(3) is bonded to one O(3), one O(9), and two equivalent O(7) atoms to form corner-sharing PO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to two equivalent Ni(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ni(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ni(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(3) atom. is represented by the CIF card [CIF]
data_LiNi2(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.024
_cell_length_b   5.137
_cell_length_c   8.535
_cell_angle_alpha   77.936
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   558.366
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.913  0.866  0.149  1.0
  Ni  Ni3  1  0.587  0.866  0.149  1.0
  Ni  Ni4  1  0.413  0.134  0.851  1.0
  Ni  Ni5  1  0.087  0.134  0.851  1.0
  P  P6  1  0.362  0.974  0.506  1.0
  P  P7  1  0.138  0.974  0.506  1.0
  P  P8  1  0.930  0.657  0.813  1.0
  P  P9  1  0.570  0.657  0.813  1.0
  P  P10  1  0.250  0.558  0.973  1.0
  P  P11  1  0.750  0.442  0.027  1.0
  P  P12  1  0.430  0.343  0.187  1.0
  P  P13  1  0.070  0.343  0.187  1.0
  P  P14  1  0.638  0.026  0.494  1.0
  P  P15  1  0.862  0.026  0.494  1.0
  O  O16  1  0.750  0.951  0.447  1.0
  O  O17  1  0.962  0.850  0.918  1.0
  O  O18  1  0.538  0.850  0.918  1.0
  O  O19  1  0.250  0.836  0.876  1.0
  O  O20  1  0.868  0.811  0.665  1.0
  O  O21  1  0.632  0.811  0.665  1.0
  O  O22  1  0.571  0.921  0.375  1.0
  O  O23  1  0.929  0.921  0.375  1.0
  O  O24  1  0.372  0.700  0.480  1.0
  O  O25  1  0.128  0.700  0.480  1.0
  O  O26  1  0.846  0.458  0.907  1.0
  O  O27  1  0.654  0.458  0.907  1.0
  O  O28  1  0.013  0.486  0.763  1.0
  O  O29  1  0.487  0.486  0.763  1.0
  O  O30  1  0.750  0.681  0.106  1.0
  O  O31  1  0.250  0.319  0.894  1.0
  O  O32  1  0.513  0.514  0.237  1.0
  O  O33  1  0.987  0.514  0.237  1.0
  O  O34  1  0.346  0.542  0.093  1.0
  O  O35  1  0.154  0.542  0.093  1.0
  O  O36  1  0.872  0.300  0.520  1.0
  O  O37  1  0.628  0.300  0.520  1.0
  O  O38  1  0.429  0.079  0.625  1.0
  O  O39  1  0.071  0.079  0.625  1.0
  O  O40  1  0.368  0.189  0.335  1.0
  O  O41  1  0.132  0.189  0.335  1.0
  O  O42  1  0.750  0.164  0.124  1.0
  O  O43  1  0.462  0.150  0.082  1.0
  O  O44  1  0.038  0.150  0.082  1.0
  O  O45  1  0.250  0.049  0.553  1.0
[/CIF]
.