The structure described by Li2Ni(PO3)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(6) atoms to form distorted LiO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 square pyramid. Ni(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O5 square pyramids and corners with two equivalent P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O5 square pyramids 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 bent 120 degrees geometry to one Li(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 planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Li2Ni(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.928
_cell_length_b   7.116
_cell_length_c   7.585
_cell_angle_alpha   109.534
_cell_angle_beta   97.980
_cell_angle_gamma   110.096
_symmetry_Int_Tables_number   1
_cell_volume   225.547
_cell_formula_units_Z   1
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  0.741  0.759  0.556  1.0
  Li  Li1  1  0.259  0.241  0.444  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  P  P3  1  0.367  0.809  0.212  1.0
  P  P4  1  0.840  0.403  0.216  1.0
  P  P5  1  0.160  0.597  0.784  1.0
  P  P6  1  0.633  0.191  0.788  1.0
  O  O7  1  0.651  0.877  0.359  1.0
  O  O8  1  0.396  0.687  0.997  1.0
  O  O9  1  0.741  0.017  0.794  1.0
  O  O10  1  0.094  0.622  0.230  1.0
  O  O11  1  0.024  0.761  0.792  1.0
  O  O12  1  0.311  0.541  0.631  1.0
  O  O13  1  0.689  0.459  0.369  1.0
  O  O14  1  0.976  0.239  0.208  1.0
  O  O15  1  0.906  0.378  0.770  1.0
  O  O16  1  0.259  0.983  0.206  1.0
  O  O17  1  0.604  0.313  0.003  1.0
  O  O18  1  0.349  0.123  0.641  1.0
[/CIF]
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The structure described by Li2Ni(PO3)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(6) atoms to form distorted LiO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 square pyramid. Ni(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O5 square pyramids and corners with two equivalent P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O5 square pyramids 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 bent 120 degrees geometry to one Li(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 planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Li2Ni(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.928
_cell_length_b   7.116
_cell_length_c   7.585
_cell_angle_alpha   109.534
_cell_angle_beta   97.980
_cell_angle_gamma   110.096
_symmetry_Int_Tables_number   1
_cell_volume   225.547
_cell_formula_units_Z   1
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  0.741  0.759  0.556  1.0
  Li  Li1  1  0.259  0.241  0.444  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  P  P3  1  0.367  0.809  0.212  1.0
  P  P4  1  0.840  0.403  0.216  1.0
  P  P5  1  0.160  0.597  0.784  1.0
  P  P6  1  0.633  0.191  0.788  1.0
  O  O7  1  0.651  0.877  0.359  1.0
  O  O8  1  0.396  0.687  0.997  1.0
  O  O9  1  0.741  0.017  0.794  1.0
  O  O10  1  0.094  0.622  0.230  1.0
  O  O11  1  0.024  0.761  0.792  1.0
  O  O12  1  0.311  0.541  0.631  1.0
  O  O13  1  0.689  0.459  0.369  1.0
  O  O14  1  0.976  0.239  0.208  1.0
  O  O15  1  0.906  0.378  0.770  1.0
  O  O16  1  0.259  0.983  0.206  1.0
  O  O17  1  0.604  0.313  0.003  1.0
  O  O18  1  0.349  0.123  0.641  1.0
[/CIF]
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