The crystal structure described by Li2Ni(PO3)5 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(14), one O(3), and one O(6) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 81°. In the second Li site, Li(2) is bonded to one O(10), one O(13), one O(2), and one O(3) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 79°. Ni(1) is bonded to one O(1), one O(11), one O(14), one O(15), one O(2), and one O(5) atom to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  a cornercorner with one Li(2)O4 trigonal pyramid. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 45-50°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. In the third P site, P(3) is bonded to one O(11), one O(5), one O(7), and one O(9) 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(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(13), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(15), 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,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 45-49°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 non-coplanar geometry to one Li(2), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(5) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Li(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ni(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.290
_cell_length_b   5.147
_cell_length_c   13.183
_cell_angle_alpha   70.318
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   593.543
_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  0.342  0.053  0.053  1.0
  Li  Li1  1  0.351  0.949  0.450  1.0
  Li  Li2  1  0.658  0.053  0.553  1.0
  Li  Li3  1  0.649  0.949  0.950  1.0
  Ni  Ni4  1  0.002  0.007  0.497  1.0
  Ni  Ni5  1  0.998  0.007  0.997  1.0
  P  P6  1  0.815  0.413  0.086  1.0
  P  P7  1  0.509  0.455  0.142  1.0
  P  P8  1  0.999  0.007  0.247  1.0
  P  P9  1  0.513  0.546  0.358  1.0
  P  P10  1  0.818  0.598  0.410  1.0
  P  P11  1  0.185  0.413  0.586  1.0
  P  P12  1  0.491  0.455  0.642  1.0
  P  P13  1  0.001  0.007  0.747  1.0
  P  P14  1  0.487  0.546  0.858  1.0
  P  P15  1  0.182  0.598  0.910  1.0
  O  O16  1  0.862  0.293  0.002  1.0
  O  O17  1  0.820  0.723  0.054  1.0
  O  O18  1  0.487  0.740  0.062  1.0
  O  O19  1  0.651  0.312  0.116  1.0
  O  O20  1  0.078  0.966  0.154  1.0
  O  O21  1  0.388  0.253  0.158  1.0
  O  O22  1  0.891  0.269  0.200  1.0
  O  O23  1  0.563  0.501  0.250  1.0
  O  O24  1  0.893  0.743  0.295  1.0
  O  O25  1  0.390  0.744  0.345  1.0
  O  O26  1  0.078  0.050  0.340  1.0
  O  O27  1  0.654  0.696  0.381  1.0
  O  O28  1  0.495  0.261  0.439  1.0
  O  O29  1  0.825  0.288  0.441  1.0
  O  O30  1  0.867  0.718  0.494  1.0
  O  O31  1  0.138  0.293  0.502  1.0
  O  O32  1  0.180  0.723  0.554  1.0
  O  O33  1  0.513  0.740  0.562  1.0
  O  O34  1  0.349  0.312  0.616  1.0
  O  O35  1  0.922  0.966  0.654  1.0
  O  O36  1  0.612  0.253  0.658  1.0
  O  O37  1  0.109  0.269  0.700  1.0
  O  O38  1  0.437  0.501  0.750  1.0
  O  O39  1  0.107  0.743  0.795  1.0
  O  O40  1  0.610  0.744  0.845  1.0
  O  O41  1  0.922  0.050  0.840  1.0
  O  O42  1  0.346  0.696  0.881  1.0
  O  O43  1  0.505  0.261  0.939  1.0
  O  O44  1  0.175  0.288  0.941  1.0
  O  O45  1  0.133  0.718  0.994  1.0
[/CIF]
.
The crystal structure described by Li2Ni(PO3)5 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(14), one O(3), and one O(6) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 81°. In the second Li site, Li(2) is bonded to one O(10), one O(13), one O(2), and one O(3) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 79°. Ni(1) is bonded to one O(1), one O(11), one O(14), one O(15), one O(2), and one O(5) atom to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  a cornercorner with one Li(2)O4 trigonal pyramid. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 45-50°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. In the third P site, P(3) is bonded to one O(11), one O(5), one O(7), and one O(9) 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(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(13), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(15), 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,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 45-49°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 non-coplanar geometry to one Li(2), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(5) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Li(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ni(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.290
_cell_length_b   5.147
_cell_length_c   13.183
_cell_angle_alpha   70.318
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   593.543
_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  0.342  0.053  0.053  1.0
  Li  Li1  1  0.351  0.949  0.450  1.0
  Li  Li2  1  0.658  0.053  0.553  1.0
  Li  Li3  1  0.649  0.949  0.950  1.0
  Ni  Ni4  1  0.002  0.007  0.497  1.0
  Ni  Ni5  1  0.998  0.007  0.997  1.0
  P  P6  1  0.815  0.413  0.086  1.0
  P  P7  1  0.509  0.455  0.142  1.0
  P  P8  1  0.999  0.007  0.247  1.0
  P  P9  1  0.513  0.546  0.358  1.0
  P  P10  1  0.818  0.598  0.410  1.0
  P  P11  1  0.185  0.413  0.586  1.0
  P  P12  1  0.491  0.455  0.642  1.0
  P  P13  1  0.001  0.007  0.747  1.0
  P  P14  1  0.487  0.546  0.858  1.0
  P  P15  1  0.182  0.598  0.910  1.0
  O  O16  1  0.862  0.293  0.002  1.0
  O  O17  1  0.820  0.723  0.054  1.0
  O  O18  1  0.487  0.740  0.062  1.0
  O  O19  1  0.651  0.312  0.116  1.0
  O  O20  1  0.078  0.966  0.154  1.0
  O  O21  1  0.388  0.253  0.158  1.0
  O  O22  1  0.891  0.269  0.200  1.0
  O  O23  1  0.563  0.501  0.250  1.0
  O  O24  1  0.893  0.743  0.295  1.0
  O  O25  1  0.390  0.744  0.345  1.0
  O  O26  1  0.078  0.050  0.340  1.0
  O  O27  1  0.654  0.696  0.381  1.0
  O  O28  1  0.495  0.261  0.439  1.0
  O  O29  1  0.825  0.288  0.441  1.0
  O  O30  1  0.867  0.718  0.494  1.0
  O  O31  1  0.138  0.293  0.502  1.0
  O  O32  1  0.180  0.723  0.554  1.0
  O  O33  1  0.513  0.740  0.562  1.0
  O  O34  1  0.349  0.312  0.616  1.0
  O  O35  1  0.922  0.966  0.654  1.0
  O  O36  1  0.612  0.253  0.658  1.0
  O  O37  1  0.109  0.269  0.700  1.0
  O  O38  1  0.437  0.501  0.750  1.0
  O  O39  1  0.107  0.743  0.795  1.0
  O  O40  1  0.610  0.744  0.845  1.0
  O  O41  1  0.922  0.050  0.840  1.0
  O  O42  1  0.346  0.696  0.881  1.0
  O  O43  1  0.505  0.261  0.939  1.0
  O  O44  1  0.175  0.288  0.941  1.0
  O  O45  1  0.133  0.718  0.994  1.0
[/CIF]
.