The material structure described by Li2Ni(PO3)4 crystallizes in the monoclinic Cc 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(3), one O(5), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(4), one O(5), and one O(9) atom. Ni(1) is bonded to one O(1), one O(12), one O(3), one O(4), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-59°. In the second P site, P(2) is bonded to one O(10), one O(2), one O(4), and one O(5) 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 44°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(3), and one O(6) 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(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ni(1) 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 non-coplanar geometry to one Li(1), one Ni(1), and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(2), one Ni(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Li(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Ni(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Li(2), one P(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(4) atom. is represented by the CIF card [CIF]
data_Li2Ni(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.162
_cell_length_b   8.162
_cell_length_c   7.589
_cell_angle_alpha   81.402
_cell_angle_beta   81.402
_cell_angle_gamma   100.311
_symmetry_Int_Tables_number   1
_cell_volume   483.624
_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  0.483  0.809  0.869  1.0
  Li  Li1  1  0.809  0.483  0.369  1.0
  Li  Li2  1  0.230  0.575  0.573  1.0
  Li  Li3  1  0.575  0.230  0.073  1.0
  Ni  Ni4  1  0.838  0.143  0.751  1.0
  Ni  Ni5  1  0.143  0.838  0.251  1.0
  P  P6  1  0.955  0.801  0.678  1.0
  P  P7  1  0.801  0.955  0.178  1.0
  P  P8  1  0.862  0.482  0.937  1.0
  P  P9  1  0.482  0.862  0.437  1.0
  P  P10  1  0.509  0.188  0.568  1.0
  P  P11  1  0.188  0.509  0.068  1.0
  P  P12  1  0.186  0.043  0.832  1.0
  P  P13  1  0.043  0.186  0.332  1.0
  O  O14  1  0.849  0.930  0.646  1.0
  O  O15  1  0.930  0.849  0.146  1.0
  O  O16  1  0.845  0.668  0.852  1.0
  O  O17  1  0.668  0.845  0.352  1.0
  O  O18  1  0.280  0.988  0.981  1.0
  O  O19  1  0.795  0.363  0.818  1.0
  O  O20  1  0.439  0.771  0.628  1.0
  O  O21  1  0.988  0.280  0.481  1.0
  O  O22  1  0.363  0.795  0.318  1.0
  O  O23  1  0.771  0.439  0.128  1.0
  O  O24  1  0.123  0.875  0.752  1.0
  O  O25  1  0.366  0.568  0.972  1.0
  O  O26  1  0.875  0.123  0.252  1.0
  O  O27  1  0.568  0.366  0.472  1.0
  O  O28  1  0.597  0.108  0.709  1.0
  O  O29  1  0.011  0.703  0.532  1.0
  O  O30  1  0.067  0.498  0.912  1.0
  O  O31  1  0.108  0.597  0.209  1.0
  O  O32  1  0.703  0.011  0.032  1.0
  O  O33  1  0.498  0.067  0.412  1.0
  O  O34  1  0.314  0.165  0.660  1.0
  O  O35  1  0.165  0.314  0.160  1.0
  O  O36  1  0.048  0.139  0.865  1.0
  O  O37  1  0.139  0.048  0.365  1.0
[/CIF]
.
The material structure described by Li2Ni(PO3)4 crystallizes in the monoclinic Cc 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(3), one O(5), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(4), one O(5), and one O(9) atom. Ni(1) is bonded to one O(1), one O(12), one O(3), one O(4), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-59°. In the second P site, P(2) is bonded to one O(10), one O(2), one O(4), and one O(5) 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 44°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(3), and one O(6) 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(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ni(1) 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 non-coplanar geometry to one Li(1), one Ni(1), and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(2), one Ni(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Li(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Ni(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Li(2), one P(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(4) atom. is represented by the CIF card [CIF]
data_Li2Ni(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.162
_cell_length_b   8.162
_cell_length_c   7.589
_cell_angle_alpha   81.402
_cell_angle_beta   81.402
_cell_angle_gamma   100.311
_symmetry_Int_Tables_number   1
_cell_volume   483.624
_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  0.483  0.809  0.869  1.0
  Li  Li1  1  0.809  0.483  0.369  1.0
  Li  Li2  1  0.230  0.575  0.573  1.0
  Li  Li3  1  0.575  0.230  0.073  1.0
  Ni  Ni4  1  0.838  0.143  0.751  1.0
  Ni  Ni5  1  0.143  0.838  0.251  1.0
  P  P6  1  0.955  0.801  0.678  1.0
  P  P7  1  0.801  0.955  0.178  1.0
  P  P8  1  0.862  0.482  0.937  1.0
  P  P9  1  0.482  0.862  0.437  1.0
  P  P10  1  0.509  0.188  0.568  1.0
  P  P11  1  0.188  0.509  0.068  1.0
  P  P12  1  0.186  0.043  0.832  1.0
  P  P13  1  0.043  0.186  0.332  1.0
  O  O14  1  0.849  0.930  0.646  1.0
  O  O15  1  0.930  0.849  0.146  1.0
  O  O16  1  0.845  0.668  0.852  1.0
  O  O17  1  0.668  0.845  0.352  1.0
  O  O18  1  0.280  0.988  0.981  1.0
  O  O19  1  0.795  0.363  0.818  1.0
  O  O20  1  0.439  0.771  0.628  1.0
  O  O21  1  0.988  0.280  0.481  1.0
  O  O22  1  0.363  0.795  0.318  1.0
  O  O23  1  0.771  0.439  0.128  1.0
  O  O24  1  0.123  0.875  0.752  1.0
  O  O25  1  0.366  0.568  0.972  1.0
  O  O26  1  0.875  0.123  0.252  1.0
  O  O27  1  0.568  0.366  0.472  1.0
  O  O28  1  0.597  0.108  0.709  1.0
  O  O29  1  0.011  0.703  0.532  1.0
  O  O30  1  0.067  0.498  0.912  1.0
  O  O31  1  0.108  0.597  0.209  1.0
  O  O32  1  0.703  0.011  0.032  1.0
  O  O33  1  0.498  0.067  0.412  1.0
  O  O34  1  0.314  0.165  0.660  1.0
  O  O35  1  0.165  0.314  0.160  1.0
  O  O36  1  0.048  0.139  0.865  1.0
  O  O37  1  0.139  0.048  0.365  1.0
[/CIF]
.