The material described by LiNi(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. Ni(1) is bonded to two equivalent O(5) and two equivalent O(6) atoms to form distorted NiO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(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 Ni(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiNi(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.854
_cell_length_b   8.854
_cell_length_c   9.724
_cell_angle_alpha   58.916
_cell_angle_beta   58.916
_cell_angle_gamma   49.458
_symmetry_Int_Tables_number   1
_cell_volume   476.633
_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  0.831  0.169  0.250  1.0
  Li  Li1  1  0.169  0.831  0.750  1.0
  Ni  Ni2  1  0.290  0.710  0.250  1.0
  Ni  Ni3  1  0.710  0.290  0.750  1.0
  P  P4  1  0.688  0.029  0.106  1.0
  P  P5  1  0.281  0.429  0.162  1.0
  P  P6  1  0.571  0.719  0.338  1.0
  P  P7  1  0.971  0.312  0.394  1.0
  P  P8  1  0.029  0.688  0.606  1.0
  P  P9  1  0.429  0.281  0.662  1.0
  P  P10  1  0.719  0.571  0.838  1.0
  P  P11  1  0.312  0.971  0.894  1.0
  O  O12  1  0.158  0.596  0.042  1.0
  O  O13  1  0.458  0.227  0.098  1.0
  O  O14  1  0.767  0.009  0.220  1.0
  O  O15  1  0.658  0.845  0.159  1.0
  O  O16  1  0.191  0.950  0.080  1.0
  O  O17  1  0.155  0.342  0.341  1.0
  O  O18  1  0.991  0.233  0.280  1.0
  O  O19  1  0.529  0.611  0.290  1.0
  O  O20  1  0.389  0.471  0.210  1.0
  O  O21  1  0.773  0.542  0.402  1.0
  O  O22  1  0.404  0.842  0.458  1.0
  O  O23  1  0.050  0.809  0.420  1.0
  O  O24  1  0.950  0.191  0.580  1.0
  O  O25  1  0.596  0.158  0.542  1.0
  O  O26  1  0.227  0.458  0.598  1.0
  O  O27  1  0.611  0.529  0.790  1.0
  O  O28  1  0.471  0.389  0.710  1.0
  O  O29  1  0.009  0.767  0.720  1.0
  O  O30  1  0.845  0.658  0.659  1.0
  O  O31  1  0.809  0.050  0.920  1.0
  O  O32  1  0.342  0.155  0.841  1.0
  O  O33  1  0.233  0.991  0.780  1.0
  O  O34  1  0.542  0.773  0.902  1.0
  O  O35  1  0.842  0.404  0.958  1.0
[/CIF]
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The material described by LiNi(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. Ni(1) is bonded to two equivalent O(5) and two equivalent O(6) atoms to form distorted NiO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(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 Ni(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiNi(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.854
_cell_length_b   8.854
_cell_length_c   9.724
_cell_angle_alpha   58.916
_cell_angle_beta   58.916
_cell_angle_gamma   49.458
_symmetry_Int_Tables_number   1
_cell_volume   476.633
_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  0.831  0.169  0.250  1.0
  Li  Li1  1  0.169  0.831  0.750  1.0
  Ni  Ni2  1  0.290  0.710  0.250  1.0
  Ni  Ni3  1  0.710  0.290  0.750  1.0
  P  P4  1  0.688  0.029  0.106  1.0
  P  P5  1  0.281  0.429  0.162  1.0
  P  P6  1  0.571  0.719  0.338  1.0
  P  P7  1  0.971  0.312  0.394  1.0
  P  P8  1  0.029  0.688  0.606  1.0
  P  P9  1  0.429  0.281  0.662  1.0
  P  P10  1  0.719  0.571  0.838  1.0
  P  P11  1  0.312  0.971  0.894  1.0
  O  O12  1  0.158  0.596  0.042  1.0
  O  O13  1  0.458  0.227  0.098  1.0
  O  O14  1  0.767  0.009  0.220  1.0
  O  O15  1  0.658  0.845  0.159  1.0
  O  O16  1  0.191  0.950  0.080  1.0
  O  O17  1  0.155  0.342  0.341  1.0
  O  O18  1  0.991  0.233  0.280  1.0
  O  O19  1  0.529  0.611  0.290  1.0
  O  O20  1  0.389  0.471  0.210  1.0
  O  O21  1  0.773  0.542  0.402  1.0
  O  O22  1  0.404  0.842  0.458  1.0
  O  O23  1  0.050  0.809  0.420  1.0
  O  O24  1  0.950  0.191  0.580  1.0
  O  O25  1  0.596  0.158  0.542  1.0
  O  O26  1  0.227  0.458  0.598  1.0
  O  O27  1  0.611  0.529  0.790  1.0
  O  O28  1  0.471  0.389  0.710  1.0
  O  O29  1  0.009  0.767  0.720  1.0
  O  O30  1  0.845  0.658  0.659  1.0
  O  O31  1  0.809  0.050  0.920  1.0
  O  O32  1  0.342  0.155  0.841  1.0
  O  O33  1  0.233  0.991  0.780  1.0
  O  O34  1  0.542  0.773  0.902  1.0
  O  O35  1  0.842  0.404  0.958  1.0
[/CIF]
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