The compound described by LiNi2P5O16 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(10), one O(11), one O(15), one O(16), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(13), one O(16), one O(2), one O(4), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. In the second Ni site, Ni(2) is bonded to one O(11), one O(15), one O(3), one O(5), one O(6), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(14), 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(4)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-53°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(14), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)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 range from 45-47°. In the third P site, P(3) is bonded to one O(16), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-55°. In the fourth P site, P(4) is bonded to one O(12), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-46°. In the fifth P site, P(5) is bonded to one O(1), one O(11), one O(15), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(5) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Ni(2), and one P(3) 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(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(5) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one P(3) atom. is represented by the CIF file [CIF]
data_LiNi2P5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.466
_cell_length_b   6.813
_cell_length_c   5.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.957
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   633.531
_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  0.968  0.644  0.736  1.0
  Li  Li1  1  0.468  0.356  0.736  1.0
  Ni  Ni2  1  0.093  0.814  0.261  1.0
  Ni  Ni3  1  0.593  0.186  0.261  1.0
  Ni  Ni4  1  0.407  0.820  0.739  1.0
  Ni  Ni5  1  0.907  0.180  0.739  1.0
  P  P6  1  0.128  0.537  0.744  1.0
  P  P7  1  0.250  0.753  0.006  1.0
  P  P8  1  0.628  0.463  0.744  1.0
  P  P9  1  0.419  0.126  0.228  1.0
  P  P10  1  0.581  0.873  0.774  1.0
  P  P11  1  0.081  0.127  0.774  1.0
  P  P12  1  0.372  0.533  0.251  1.0
  P  P13  1  0.750  0.247  0.006  1.0
  P  P14  1  0.919  0.874  0.228  1.0
  P  P15  1  0.872  0.467  0.251  1.0
  O  O16  1  0.290  0.605  0.209  1.0
  O  O17  1  0.572  0.941  0.062  1.0
  O  O18  1  0.511  0.788  0.657  1.0
  O  O19  1  0.117  0.975  0.601  1.0
  O  O20  1  0.304  0.865  0.846  1.0
  O  O21  1  0.883  0.036  0.385  1.0
  O  O22  1  0.113  0.563  0.450  1.0
  O  O23  1  0.011  0.212  0.657  1.0
  O  O24  1  0.359  0.303  0.208  1.0
  O  O25  1  0.613  0.437  0.450  1.0
  O  O26  1  0.617  0.025  0.601  1.0
  O  O27  1  0.433  0.082  0.934  1.0
  O  O28  1  0.573  0.369  0.923  1.0
  O  O29  1  0.072  0.059  0.062  1.0
  O  O30  1  0.859  0.697  0.208  1.0
  O  O31  1  0.422  0.614  0.046  1.0
  O  O32  1  0.638  0.692  0.799  1.0
  O  O33  1  0.196  0.867  0.160  1.0
  O  O34  1  0.933  0.918  0.934  1.0
  O  O35  1  0.709  0.398  0.809  1.0
  O  O36  1  0.383  0.964  0.385  1.0
  O  O37  1  0.073  0.631  0.923  1.0
  O  O38  1  0.696  0.133  0.160  1.0
  O  O39  1  0.393  0.557  0.541  1.0
  O  O40  1  0.486  0.211  0.374  1.0
  O  O41  1  0.986  0.789  0.374  1.0
  O  O42  1  0.893  0.443  0.541  1.0
  O  O43  1  0.790  0.395  0.209  1.0
  O  O44  1  0.922  0.386  0.046  1.0
  O  O45  1  0.804  0.135  0.846  1.0
  O  O46  1  0.209  0.602  0.809  1.0
  O  O47  1  0.138  0.308  0.799  1.0
[/CIF]
.
The compound described by LiNi2P5O16 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(10), one O(11), one O(15), one O(16), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(13), one O(16), one O(2), one O(4), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. In the second Ni site, Ni(2) is bonded to one O(11), one O(15), one O(3), one O(5), one O(6), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(14), 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(4)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-53°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(14), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)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 range from 45-47°. In the third P site, P(3) is bonded to one O(16), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-55°. In the fourth P site, P(4) is bonded to one O(12), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-46°. In the fifth P site, P(5) is bonded to one O(1), one O(11), one O(15), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(5) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Ni(2), and one P(3) 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(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(5) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one P(3) atom. is represented by the CIF file [CIF]
data_LiNi2P5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.466
_cell_length_b   6.813
_cell_length_c   5.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.957
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   633.531
_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  0.968  0.644  0.736  1.0
  Li  Li1  1  0.468  0.356  0.736  1.0
  Ni  Ni2  1  0.093  0.814  0.261  1.0
  Ni  Ni3  1  0.593  0.186  0.261  1.0
  Ni  Ni4  1  0.407  0.820  0.739  1.0
  Ni  Ni5  1  0.907  0.180  0.739  1.0
  P  P6  1  0.128  0.537  0.744  1.0
  P  P7  1  0.250  0.753  0.006  1.0
  P  P8  1  0.628  0.463  0.744  1.0
  P  P9  1  0.419  0.126  0.228  1.0
  P  P10  1  0.581  0.873  0.774  1.0
  P  P11  1  0.081  0.127  0.774  1.0
  P  P12  1  0.372  0.533  0.251  1.0
  P  P13  1  0.750  0.247  0.006  1.0
  P  P14  1  0.919  0.874  0.228  1.0
  P  P15  1  0.872  0.467  0.251  1.0
  O  O16  1  0.290  0.605  0.209  1.0
  O  O17  1  0.572  0.941  0.062  1.0
  O  O18  1  0.511  0.788  0.657  1.0
  O  O19  1  0.117  0.975  0.601  1.0
  O  O20  1  0.304  0.865  0.846  1.0
  O  O21  1  0.883  0.036  0.385  1.0
  O  O22  1  0.113  0.563  0.450  1.0
  O  O23  1  0.011  0.212  0.657  1.0
  O  O24  1  0.359  0.303  0.208  1.0
  O  O25  1  0.613  0.437  0.450  1.0
  O  O26  1  0.617  0.025  0.601  1.0
  O  O27  1  0.433  0.082  0.934  1.0
  O  O28  1  0.573  0.369  0.923  1.0
  O  O29  1  0.072  0.059  0.062  1.0
  O  O30  1  0.859  0.697  0.208  1.0
  O  O31  1  0.422  0.614  0.046  1.0
  O  O32  1  0.638  0.692  0.799  1.0
  O  O33  1  0.196  0.867  0.160  1.0
  O  O34  1  0.933  0.918  0.934  1.0
  O  O35  1  0.709  0.398  0.809  1.0
  O  O36  1  0.383  0.964  0.385  1.0
  O  O37  1  0.073  0.631  0.923  1.0
  O  O38  1  0.696  0.133  0.160  1.0
  O  O39  1  0.393  0.557  0.541  1.0
  O  O40  1  0.486  0.211  0.374  1.0
  O  O41  1  0.986  0.789  0.374  1.0
  O  O42  1  0.893  0.443  0.541  1.0
  O  O43  1  0.790  0.395  0.209  1.0
  O  O44  1  0.922  0.386  0.046  1.0
  O  O45  1  0.804  0.135  0.846  1.0
  O  O46  1  0.209  0.602  0.809  1.0
  O  O47  1  0.138  0.308  0.799  1.0
[/CIF]
.