The crystal structure described by LiNi(PO3)4 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 3-coordinate geometry to one O(11), one O(5), and one O(7) atom. Ni(1) is bonded to one O(10), one O(12), one O(4), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the second P site, P(2) is bonded to one O(10), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-48°. In the third P site, P(3) is bonded to one O(1), one O(12), one O(2), and one O(4) 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 range from 46-49°. In the fourth P site, P(4) is bonded to one O(3), one O(5), one O(7), and one O(9) 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(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are twelve inequivalent O sites. In the first O site, O(7) is bonded in a bent 150 degrees geometry to one Li(1) and one P(4) atom. In the second O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the third O site, O(9) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the fourth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(1) atom. In the sixth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the seventh O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the ninth O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the tenth O site, O(4) is bonded in a 2-coordinate geometry to one Ni(1) and one P(3) atom. In the eleventh O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(4) atom. In the twelfth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiNi(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.248
_cell_length_b   8.248
_cell_length_c   7.818
_cell_angle_alpha   82.884
_cell_angle_beta   82.884
_cell_angle_gamma   110.264
_symmetry_Int_Tables_number   1
_cell_volume   487.013
_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  0.500  0.808  0.260  1.0
  Li  Li1  1  0.808  0.500  0.760  1.0
  Ni  Ni2  1  0.127  0.869  0.745  1.0
  Ni  Ni3  1  0.869  0.127  0.245  1.0
  P  P4  1  0.766  0.422  0.382  1.0
  P  P5  1  0.051  0.207  0.819  1.0
  P  P6  1  0.948  0.791  0.166  1.0
  P  P7  1  0.791  0.948  0.666  1.0
  P  P8  1  0.422  0.766  0.882  1.0
  P  P9  1  0.207  0.051  0.319  1.0
  P  P10  1  0.243  0.577  0.635  1.0
  P  P11  1  0.577  0.243  0.135  1.0
  O  O12  1  0.846  0.631  0.322  1.0
  O  O13  1  0.126  0.878  0.236  1.0
  O  O14  1  0.366  0.601  0.782  1.0
  O  O15  1  0.842  0.910  0.166  1.0
  O  O16  1  0.089  0.637  0.694  1.0
  O  O17  1  0.352  0.901  0.802  1.0
  O  O18  1  0.878  0.126  0.736  1.0
  O  O19  1  0.910  0.842  0.666  1.0
  O  O20  1  0.344  0.648  0.456  1.0
  O  O21  1  0.010  0.269  0.985  1.0
  O  O22  1  0.368  0.159  0.162  1.0
  O  O23  1  0.081  0.148  0.330  1.0
  O  O24  1  0.631  0.846  0.822  1.0
  O  O25  1  0.637  0.089  0.194  1.0
  O  O26  1  0.709  0.391  0.574  1.0
  O  O27  1  0.727  0.980  0.498  1.0
  O  O28  1  0.648  0.344  0.956  1.0
  O  O29  1  0.980  0.727  0.998  1.0
  O  O30  1  0.269  0.010  0.485  1.0
  O  O31  1  0.148  0.081  0.830  1.0
  O  O32  1  0.601  0.366  0.282  1.0
  O  O33  1  0.159  0.368  0.662  1.0
  O  O34  1  0.901  0.352  0.302  1.0
  O  O35  1  0.391  0.709  0.074  1.0
[/CIF]
.
The crystal structure described by LiNi(PO3)4 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 3-coordinate geometry to one O(11), one O(5), and one O(7) atom. Ni(1) is bonded to one O(10), one O(12), one O(4), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the second P site, P(2) is bonded to one O(10), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-48°. In the third P site, P(3) is bonded to one O(1), one O(12), one O(2), and one O(4) 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 range from 46-49°. In the fourth P site, P(4) is bonded to one O(3), one O(5), one O(7), and one O(9) 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(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are twelve inequivalent O sites. In the first O site, O(7) is bonded in a bent 150 degrees geometry to one Li(1) and one P(4) atom. In the second O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the third O site, O(9) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the fourth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(1) atom. In the sixth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the seventh O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the ninth O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the tenth O site, O(4) is bonded in a 2-coordinate geometry to one Ni(1) and one P(3) atom. In the eleventh O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(4) atom. In the twelfth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiNi(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.248
_cell_length_b   8.248
_cell_length_c   7.818
_cell_angle_alpha   82.884
_cell_angle_beta   82.884
_cell_angle_gamma   110.264
_symmetry_Int_Tables_number   1
_cell_volume   487.013
_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  0.500  0.808  0.260  1.0
  Li  Li1  1  0.808  0.500  0.760  1.0
  Ni  Ni2  1  0.127  0.869  0.745  1.0
  Ni  Ni3  1  0.869  0.127  0.245  1.0
  P  P4  1  0.766  0.422  0.382  1.0
  P  P5  1  0.051  0.207  0.819  1.0
  P  P6  1  0.948  0.791  0.166  1.0
  P  P7  1  0.791  0.948  0.666  1.0
  P  P8  1  0.422  0.766  0.882  1.0
  P  P9  1  0.207  0.051  0.319  1.0
  P  P10  1  0.243  0.577  0.635  1.0
  P  P11  1  0.577  0.243  0.135  1.0
  O  O12  1  0.846  0.631  0.322  1.0
  O  O13  1  0.126  0.878  0.236  1.0
  O  O14  1  0.366  0.601  0.782  1.0
  O  O15  1  0.842  0.910  0.166  1.0
  O  O16  1  0.089  0.637  0.694  1.0
  O  O17  1  0.352  0.901  0.802  1.0
  O  O18  1  0.878  0.126  0.736  1.0
  O  O19  1  0.910  0.842  0.666  1.0
  O  O20  1  0.344  0.648  0.456  1.0
  O  O21  1  0.010  0.269  0.985  1.0
  O  O22  1  0.368  0.159  0.162  1.0
  O  O23  1  0.081  0.148  0.330  1.0
  O  O24  1  0.631  0.846  0.822  1.0
  O  O25  1  0.637  0.089  0.194  1.0
  O  O26  1  0.709  0.391  0.574  1.0
  O  O27  1  0.727  0.980  0.498  1.0
  O  O28  1  0.648  0.344  0.956  1.0
  O  O29  1  0.980  0.727  0.998  1.0
  O  O30  1  0.269  0.010  0.485  1.0
  O  O31  1  0.148  0.081  0.830  1.0
  O  O32  1  0.601  0.366  0.282  1.0
  O  O33  1  0.159  0.368  0.662  1.0
  O  O34  1  0.901  0.352  0.302  1.0
  O  O35  1  0.391  0.709  0.074  1.0
[/CIF]
.