The material described by LiNi2(PO4)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(6), and one O(7) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), one O(12), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)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(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-45°. In the second P site, P(2) is bonded to one O(11), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-47°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ni(2) 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(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ni(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ni(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(3) atom. is represented by the CIF card [CIF]
data_LiNi2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.337
_cell_length_b   8.409
_cell_length_c   8.895
_cell_angle_alpha   90.587
_cell_angle_beta   117.791
_cell_angle_gamma   119.627
_symmetry_Int_Tables_number   1
_cell_volume   455.407
_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  0.818  0.073  0.136  1.0
  Li  Li1  1  0.182  0.927  0.864  1.0
  Ni  Ni2  1  0.714  0.856  0.574  1.0
  Ni  Ni3  1  0.703  0.353  0.055  1.0
  Ni  Ni4  1  0.286  0.144  0.426  1.0
  Ni  Ni5  1  0.297  0.647  0.945  1.0
  P  P6  1  0.215  0.255  0.751  1.0
  P  P7  1  0.503  0.040  0.249  1.0
  P  P8  1  0.210  0.465  0.247  1.0
  P  P9  1  0.790  0.535  0.753  1.0
  P  P10  1  0.497  0.960  0.751  1.0
  P  P11  1  0.785  0.745  0.249  1.0
  O  O12  1  0.707  0.534  0.206  1.0
  O  O13  1  0.374  0.210  0.894  1.0
  O  O14  1  0.736  0.517  0.900  1.0
  O  O15  1  0.966  0.497  0.793  1.0
  O  O16  1  0.999  0.117  0.741  1.0
  O  O17  1  0.034  0.503  0.207  1.0
  O  O18  1  0.314  0.853  0.085  1.0
  O  O19  1  0.680  0.171  0.209  1.0
  O  O20  1  0.824  0.803  0.434  1.0
  O  O21  1  0.613  0.002  0.424  1.0
  O  O22  1  0.176  0.197  0.566  1.0
  O  O23  1  0.293  0.466  0.794  1.0
  O  O24  1  0.869  0.742  0.746  1.0
  O  O25  1  0.388  0.131  0.262  1.0
  O  O26  1  0.582  0.392  0.571  1.0
  O  O27  1  0.626  0.790  0.106  1.0
  O  O28  1  0.264  0.483  0.100  1.0
  O  O29  1  0.612  0.869  0.738  1.0
  O  O30  1  0.686  0.147  0.915  1.0
  O  O31  1  0.131  0.258  0.254  1.0
  O  O32  1  0.320  0.829  0.791  1.0
  O  O33  1  0.001  0.883  0.259  1.0
  O  O34  1  0.418  0.608  0.429  1.0
  O  O35  1  0.387  0.998  0.576  1.0
[/CIF]
.
The material described by LiNi2(PO4)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(6), and one O(7) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), one O(12), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)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(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-45°. In the second P site, P(2) is bonded to one O(11), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-47°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ni(2) 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(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ni(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ni(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(3) atom. is represented by the CIF card [CIF]
data_LiNi2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.337
_cell_length_b   8.409
_cell_length_c   8.895
_cell_angle_alpha   90.587
_cell_angle_beta   117.791
_cell_angle_gamma   119.627
_symmetry_Int_Tables_number   1
_cell_volume   455.407
_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  0.818  0.073  0.136  1.0
  Li  Li1  1  0.182  0.927  0.864  1.0
  Ni  Ni2  1  0.714  0.856  0.574  1.0
  Ni  Ni3  1  0.703  0.353  0.055  1.0
  Ni  Ni4  1  0.286  0.144  0.426  1.0
  Ni  Ni5  1  0.297  0.647  0.945  1.0
  P  P6  1  0.215  0.255  0.751  1.0
  P  P7  1  0.503  0.040  0.249  1.0
  P  P8  1  0.210  0.465  0.247  1.0
  P  P9  1  0.790  0.535  0.753  1.0
  P  P10  1  0.497  0.960  0.751  1.0
  P  P11  1  0.785  0.745  0.249  1.0
  O  O12  1  0.707  0.534  0.206  1.0
  O  O13  1  0.374  0.210  0.894  1.0
  O  O14  1  0.736  0.517  0.900  1.0
  O  O15  1  0.966  0.497  0.793  1.0
  O  O16  1  0.999  0.117  0.741  1.0
  O  O17  1  0.034  0.503  0.207  1.0
  O  O18  1  0.314  0.853  0.085  1.0
  O  O19  1  0.680  0.171  0.209  1.0
  O  O20  1  0.824  0.803  0.434  1.0
  O  O21  1  0.613  0.002  0.424  1.0
  O  O22  1  0.176  0.197  0.566  1.0
  O  O23  1  0.293  0.466  0.794  1.0
  O  O24  1  0.869  0.742  0.746  1.0
  O  O25  1  0.388  0.131  0.262  1.0
  O  O26  1  0.582  0.392  0.571  1.0
  O  O27  1  0.626  0.790  0.106  1.0
  O  O28  1  0.264  0.483  0.100  1.0
  O  O29  1  0.612  0.869  0.738  1.0
  O  O30  1  0.686  0.147  0.915  1.0
  O  O31  1  0.131  0.258  0.254  1.0
  O  O32  1  0.320  0.829  0.791  1.0
  O  O33  1  0.001  0.883  0.259  1.0
  O  O34  1  0.418  0.608  0.429  1.0
  O  O35  1  0.387  0.998  0.576  1.0
[/CIF]
.