The material structure described by LiNi(PO3)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(9) atom. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(8) atom to form NiO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. In the second P site, P(2) 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)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. In the third P site, P(3) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ni(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNi(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.793
_cell_length_b   7.106
_cell_length_c   7.231
_cell_angle_alpha   83.810
_cell_angle_beta   78.402
_cell_angle_gamma   83.598
_symmetry_Int_Tables_number   1
_cell_volume   338.498
_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  0.914  0.724  0.871  1.0
  Li  Li1  1  0.086  0.276  0.129  1.0
  Ni  Ni2  1  0.439  0.838  0.852  1.0
  Ni  Ni3  1  0.561  0.162  0.148  1.0
  P  P4  1  0.764  0.850  0.453  1.0
  P  P5  1  0.143  0.706  0.221  1.0
  P  P6  1  0.576  0.620  0.221  1.0
  P  P7  1  0.424  0.380  0.779  1.0
  P  P8  1  0.857  0.294  0.779  1.0
  P  P9  1  0.236  0.150  0.547  1.0
  O  O10  1  0.281  0.971  0.665  1.0
  O  O11  1  0.711  0.846  0.666  1.0
  O  O12  1  0.189  0.866  0.067  1.0
  O  O13  1  0.623  0.768  0.052  1.0
  O  O14  1  0.003  0.790  0.409  1.0
  O  O15  1  0.668  0.673  0.393  1.0
  O  O16  1  0.340  0.645  0.314  1.0
  O  O17  1  0.362  0.583  0.811  1.0
  O  O18  1  0.945  0.462  0.824  1.0
  O  O19  1  0.055  0.538  0.176  1.0
  O  O20  1  0.638  0.417  0.189  1.0
  O  O21  1  0.660  0.355  0.686  1.0
  O  O22  1  0.332  0.327  0.607  1.0
  O  O23  1  0.997  0.210  0.591  1.0
  O  O24  1  0.377  0.232  0.948  1.0
  O  O25  1  0.811  0.134  0.933  1.0
  O  O26  1  0.289  0.154  0.334  1.0
  O  O27  1  0.719  0.029  0.335  1.0
[/CIF]
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The material structure described by LiNi(PO3)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(9) atom. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(8) atom to form NiO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. In the second P site, P(2) 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)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. In the third P site, P(3) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ni(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNi(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.793
_cell_length_b   7.106
_cell_length_c   7.231
_cell_angle_alpha   83.810
_cell_angle_beta   78.402
_cell_angle_gamma   83.598
_symmetry_Int_Tables_number   1
_cell_volume   338.498
_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  0.914  0.724  0.871  1.0
  Li  Li1  1  0.086  0.276  0.129  1.0
  Ni  Ni2  1  0.439  0.838  0.852  1.0
  Ni  Ni3  1  0.561  0.162  0.148  1.0
  P  P4  1  0.764  0.850  0.453  1.0
  P  P5  1  0.143  0.706  0.221  1.0
  P  P6  1  0.576  0.620  0.221  1.0
  P  P7  1  0.424  0.380  0.779  1.0
  P  P8  1  0.857  0.294  0.779  1.0
  P  P9  1  0.236  0.150  0.547  1.0
  O  O10  1  0.281  0.971  0.665  1.0
  O  O11  1  0.711  0.846  0.666  1.0
  O  O12  1  0.189  0.866  0.067  1.0
  O  O13  1  0.623  0.768  0.052  1.0
  O  O14  1  0.003  0.790  0.409  1.0
  O  O15  1  0.668  0.673  0.393  1.0
  O  O16  1  0.340  0.645  0.314  1.0
  O  O17  1  0.362  0.583  0.811  1.0
  O  O18  1  0.945  0.462  0.824  1.0
  O  O19  1  0.055  0.538  0.176  1.0
  O  O20  1  0.638  0.417  0.189  1.0
  O  O21  1  0.660  0.355  0.686  1.0
  O  O22  1  0.332  0.327  0.607  1.0
  O  O23  1  0.997  0.210  0.591  1.0
  O  O24  1  0.377  0.232  0.948  1.0
  O  O25  1  0.811  0.134  0.933  1.0
  O  O26  1  0.289  0.154  0.334  1.0
  O  O27  1  0.719  0.029  0.335  1.0
[/CIF]
.