The material structure described by Li2Ni(PO3)4 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in an L-shaped geometry to two equivalent O(1) atoms. Ni(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two 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 Ni(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-56°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Li2Ni(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.543
_cell_length_b   6.543
_cell_length_c   7.173
_cell_angle_alpha   116.248
_cell_angle_beta   116.258
_cell_angle_gamma   91.563
_symmetry_Int_Tables_number   1
_cell_volume   237.288
_cell_formula_units_Z   1
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  0.348  0.652  1.000  1.0
  Li  Li1  1  0.648  0.352  1.000  1.0
  Ni  Ni2  1  0.190  0.811  0.500  1.0
  O  O3  1  0.397  0.389  0.079  1.0
  O  O4  1  0.611  0.603  0.921  1.0
  O  O5  1  0.291  0.154  0.242  1.0
  O  O6  1  0.846  0.709  0.758  1.0
  O  O7  1  0.309  0.932  0.868  1.0
  O  O8  1  0.068  0.691  0.132  1.0
  O  O9  1  0.216  0.160  0.562  1.0
  O  O10  1  0.840  0.784  0.438  1.0
  O  O11  1  0.093  0.458  0.412  1.0
  O  O12  1  0.542  0.907  0.588  1.0
  O  O13  1  0.869  0.026  0.143  1.0
  O  O14  1  0.974  0.131  0.857  1.0
  P  P15  1  0.256  0.156  0.006  1.0
  P  P16  1  0.844  0.744  0.994  1.0
  P  P17  1  0.127  0.219  0.366  1.0
  P  P18  1  0.781  0.873  0.634  1.0
[/CIF]
.
The material structure described by Li2Ni(PO3)4 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in an L-shaped geometry to two equivalent O(1) atoms. Ni(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two 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 Ni(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-56°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Li2Ni(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.543
_cell_length_b   6.543
_cell_length_c   7.173
_cell_angle_alpha   116.248
_cell_angle_beta   116.258
_cell_angle_gamma   91.563
_symmetry_Int_Tables_number   1
_cell_volume   237.288
_cell_formula_units_Z   1
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  0.348  0.652  1.000  1.0
  Li  Li1  1  0.648  0.352  1.000  1.0
  Ni  Ni2  1  0.190  0.811  0.500  1.0
  O  O3  1  0.397  0.389  0.079  1.0
  O  O4  1  0.611  0.603  0.921  1.0
  O  O5  1  0.291  0.154  0.242  1.0
  O  O6  1  0.846  0.709  0.758  1.0
  O  O7  1  0.309  0.932  0.868  1.0
  O  O8  1  0.068  0.691  0.132  1.0
  O  O9  1  0.216  0.160  0.562  1.0
  O  O10  1  0.840  0.784  0.438  1.0
  O  O11  1  0.093  0.458  0.412  1.0
  O  O12  1  0.542  0.907  0.588  1.0
  O  O13  1  0.869  0.026  0.143  1.0
  O  O14  1  0.974  0.131  0.857  1.0
  P  P15  1  0.256  0.156  0.006  1.0
  P  P16  1  0.844  0.744  0.994  1.0
  P  P17  1  0.127  0.219  0.366  1.0
  P  P18  1  0.781  0.873  0.634  1.0
[/CIF]
.