The crystal structure described by Li2Ni3P9O28 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form distorted LiO4 trigonal pyramids 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,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(13), two equivalent O(7), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(11), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(5)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-60°. In the second P site, P(2) is bonded to one O(12), one O(2), one O(5), 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(4)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 42-59°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(4), and one O(7) 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(5)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 37-56°. In the fourth P site, P(4) is bonded to one O(12), one O(13), one O(3), and one O(8) 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(5)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 44-62°. In the fifth P site, P(5) is bonded to two equivalent O(10), two equivalent O(14), and two equivalent O(8) atoms to form corner-sharing PO6 octahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Ni(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a 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(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one P(4) and one P(5) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(2) 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(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ni3P9O28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.008
_cell_length_b   9.011
_cell_length_c   9.086
_cell_angle_alpha   110.565
_cell_angle_beta   110.054
_cell_angle_gamma   99.358
_symmetry_Int_Tables_number   1
_cell_volume   477.770
_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  0.691  0.960  0.214  1.0
  Li  Li1  1  0.309  0.040  0.786  1.0
  Ni  Ni2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.245  0.989  0.247  1.0
  Ni  Ni4  1  0.755  0.011  0.753  1.0
  P  P5  1  0.301  0.755  0.445  1.0
  P  P6  1  0.792  0.762  0.934  1.0
  P  P7  1  0.685  0.699  0.416  1.0
  P  P8  1  0.170  0.684  0.900  1.0
  P  P9  1  0.000  0.500  0.500  1.0
  P  P10  1  0.315  0.301  0.584  1.0
  P  P11  1  0.830  0.316  0.100  1.0
  P  P12  1  0.699  0.245  0.555  1.0
  P  P13  1  0.208  0.238  0.066  1.0
  O  O14  1  0.411  0.909  0.620  1.0
  O  O15  1  0.911  0.908  0.116  1.0
  O  O16  1  0.308  0.865  0.027  1.0
  O  O17  1  0.816  0.879  0.547  1.0
  O  O18  1  0.728  0.811  0.785  1.0
  O  O19  1  0.226  0.790  0.288  1.0
  O  O20  1  0.642  0.693  0.236  1.0
  O  O21  1  0.126  0.665  0.709  1.0
  O  O22  1  0.583  0.649  0.905  1.0
  O  O23  1  0.103  0.628  0.427  1.0
  O  O24  1  0.460  0.646  0.426  1.0
  O  O25  1  0.939  0.647  0.901  1.0
  O  O26  1  0.235  0.545  0.940  1.0
  O  O27  1  0.775  0.562  0.455  1.0
  O  O28  1  0.765  0.455  0.060  1.0
  O  O29  1  0.225  0.438  0.545  1.0
  O  O30  1  0.540  0.354  0.574  1.0
  O  O31  1  0.061  0.353  0.099  1.0
  O  O32  1  0.417  0.351  0.095  1.0
  O  O33  1  0.897  0.372  0.573  1.0
  O  O34  1  0.358  0.307  0.764  1.0
  O  O35  1  0.874  0.335  0.291  1.0
  O  O36  1  0.272  0.189  0.215  1.0
  O  O37  1  0.774  0.210  0.712  1.0
  O  O38  1  0.692  0.135  0.973  1.0
  O  O39  1  0.184  0.121  0.453  1.0
  O  O40  1  0.589  0.091  0.380  1.0
  O  O41  1  0.089  0.092  0.884  1.0
[/CIF]
.
The crystal structure described by Li2Ni3P9O28 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form distorted LiO4 trigonal pyramids 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,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(13), two equivalent O(7), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(11), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(5)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-60°. In the second P site, P(2) is bonded to one O(12), one O(2), one O(5), 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(4)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 42-59°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(4), and one O(7) 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(5)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 37-56°. In the fourth P site, P(4) is bonded to one O(12), one O(13), one O(3), and one O(8) 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(5)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 44-62°. In the fifth P site, P(5) is bonded to two equivalent O(10), two equivalent O(14), and two equivalent O(8) atoms to form corner-sharing PO6 octahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Ni(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a 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(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one P(4) and one P(5) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(2) 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(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ni3P9O28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.008
_cell_length_b   9.011
_cell_length_c   9.086
_cell_angle_alpha   110.565
_cell_angle_beta   110.054
_cell_angle_gamma   99.358
_symmetry_Int_Tables_number   1
_cell_volume   477.770
_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  0.691  0.960  0.214  1.0
  Li  Li1  1  0.309  0.040  0.786  1.0
  Ni  Ni2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.245  0.989  0.247  1.0
  Ni  Ni4  1  0.755  0.011  0.753  1.0
  P  P5  1  0.301  0.755  0.445  1.0
  P  P6  1  0.792  0.762  0.934  1.0
  P  P7  1  0.685  0.699  0.416  1.0
  P  P8  1  0.170  0.684  0.900  1.0
  P  P9  1  0.000  0.500  0.500  1.0
  P  P10  1  0.315  0.301  0.584  1.0
  P  P11  1  0.830  0.316  0.100  1.0
  P  P12  1  0.699  0.245  0.555  1.0
  P  P13  1  0.208  0.238  0.066  1.0
  O  O14  1  0.411  0.909  0.620  1.0
  O  O15  1  0.911  0.908  0.116  1.0
  O  O16  1  0.308  0.865  0.027  1.0
  O  O17  1  0.816  0.879  0.547  1.0
  O  O18  1  0.728  0.811  0.785  1.0
  O  O19  1  0.226  0.790  0.288  1.0
  O  O20  1  0.642  0.693  0.236  1.0
  O  O21  1  0.126  0.665  0.709  1.0
  O  O22  1  0.583  0.649  0.905  1.0
  O  O23  1  0.103  0.628  0.427  1.0
  O  O24  1  0.460  0.646  0.426  1.0
  O  O25  1  0.939  0.647  0.901  1.0
  O  O26  1  0.235  0.545  0.940  1.0
  O  O27  1  0.775  0.562  0.455  1.0
  O  O28  1  0.765  0.455  0.060  1.0
  O  O29  1  0.225  0.438  0.545  1.0
  O  O30  1  0.540  0.354  0.574  1.0
  O  O31  1  0.061  0.353  0.099  1.0
  O  O32  1  0.417  0.351  0.095  1.0
  O  O33  1  0.897  0.372  0.573  1.0
  O  O34  1  0.358  0.307  0.764  1.0
  O  O35  1  0.874  0.335  0.291  1.0
  O  O36  1  0.272  0.189  0.215  1.0
  O  O37  1  0.774  0.210  0.712  1.0
  O  O38  1  0.692  0.135  0.973  1.0
  O  O39  1  0.184  0.121  0.453  1.0
  O  O40  1  0.589  0.091  0.380  1.0
  O  O41  1  0.089  0.092  0.884  1.0
[/CIF]
.