The crystal structure described by Li4Si3(NiO5)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra, corners with three equivalent Ni(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a distorted pentagonal planar geometry to one O(3), two equivalent O(1), and two equivalent O(4) atoms. Ni(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form NiO5 trigonal bipyramids that share  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with four equivalent Ni(1)O5 trigonal bipyramids. In the second Si site, Si(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Ni(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), one Ni(1), and one Si(2) atom to form distorted OLi2SiNi trigonal pyramids that share  a cornercorner with one O(3)Li2SiNi tetrahedra,  a cornercorner with one O(2)Li2SiNi trigonal pyramid, corners with two equivalent O(5)LiSiNi2 trigonal pyramids, corners with three equivalent O(1)Li2SiNi trigonal pyramids, and  an edgeedge with one O(3)Li2SiNi tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), and one Si(1) atom to form distorted OLi2SiNi trigonal pyramids that share corners with four equivalent O(3)Li2SiNi tetrahedra,  a cornercorner with one O(1)Li2SiNi trigonal pyramid, corners with three equivalent O(5)LiSiNi2 trigonal pyramids,  an edgeedge with one O(2)Li2SiNi trigonal pyramid, and  an edgeedge with one O(5)LiSiNi2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ni(1), and one Si(1) atom to form distorted OLi2SiNi tetrahedra that share  a cornercorner with one O(1)Li2SiNi trigonal pyramid, corners with four equivalent O(2)Li2SiNi trigonal pyramids, corners with four equivalent O(5)LiSiNi2 trigonal pyramids, and  an edgeedge with one O(1)Li2SiNi trigonal pyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Ni(1), and one Si(1) atom to form distorted OLiSiNi2 trigonal pyramids that share corners with four equivalent O(3)Li2SiNi tetrahedra, corners with two equivalent O(1)Li2SiNi trigonal pyramids, corners with three equivalent O(2)Li2SiNi trigonal pyramids,  an edgeedge with one O(2)Li2SiNi trigonal pyramid, and  an edgeedge with one O(5)LiSiNi2 trigonal pyramid. is represented by the CIF card [CIF]
data_Li4Si3(NiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.308
_cell_length_b   5.308
_cell_length_c   16.681
_cell_angle_alpha   82.925
_cell_angle_beta   82.925
_cell_angle_gamma   61.972
_symmetry_Int_Tables_number   1
_cell_volume   410.611
_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  0.678  0.947  1.0
  Li  Li1  1  0.576  0.793  0.770  1.0
  Li  Li2  1  0.678  0.831  0.447  1.0
  Li  Li3  1  0.793  0.576  0.270  1.0
  Li  Li4  1  0.207  0.424  0.730  1.0
  Li  Li5  1  0.322  0.169  0.553  1.0
  Li  Li6  1  0.424  0.207  0.230  1.0
  Li  Li7  1  0.169  0.322  0.053  1.0
  Si  Si8  1  0.662  0.470  0.598  1.0
  Si  Si9  1  0.887  0.113  0.750  1.0
  Si  Si10  1  0.530  0.338  0.902  1.0
  Si  Si11  1  0.470  0.662  0.098  1.0
  Si  Si12  1  0.113  0.887  0.250  1.0
  Si  Si13  1  0.338  0.530  0.402  1.0
  Ni  Ni14  1  0.194  0.001  0.919  1.0
  Ni  Ni15  1  0.001  0.194  0.419  1.0
  Ni  Ni16  1  0.999  0.806  0.581  1.0
  Ni  Ni17  1  0.806  0.999  0.081  1.0
  O  O18  1  0.923  0.840  0.707  1.0
  O  O19  1  0.840  0.923  0.207  1.0
  O  O20  1  0.630  0.783  0.566  1.0
  O  O21  1  0.553  0.638  0.890  1.0
  O  O22  1  0.791  0.410  0.689  1.0
  O  O23  1  0.784  0.087  0.955  1.0
  O  O24  1  0.913  0.216  0.545  1.0
  O  O25  1  0.783  0.630  0.066  1.0
  O  O26  1  0.638  0.553  0.390  1.0
  O  O27  1  0.590  0.209  0.811  1.0
  O  O28  1  0.410  0.791  0.189  1.0
  O  O29  1  0.362  0.447  0.610  1.0
  O  O30  1  0.217  0.370  0.934  1.0
  O  O31  1  0.087  0.784  0.455  1.0
  O  O32  1  0.216  0.913  0.045  1.0
  O  O33  1  0.209  0.590  0.311  1.0
  O  O34  1  0.447  0.362  0.110  1.0
  O  O35  1  0.370  0.217  0.434  1.0
  O  O36  1  0.160  0.077  0.793  1.0
  O  O37  1  0.077  0.160  0.293  1.0
[/CIF]
.
The crystal structure described by Li4Si3(NiO5)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra, corners with three equivalent Ni(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a distorted pentagonal planar geometry to one O(3), two equivalent O(1), and two equivalent O(4) atoms. Ni(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form NiO5 trigonal bipyramids that share  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with four equivalent Ni(1)O5 trigonal bipyramids. In the second Si site, Si(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Ni(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), one Ni(1), and one Si(2) atom to form distorted OLi2SiNi trigonal pyramids that share  a cornercorner with one O(3)Li2SiNi tetrahedra,  a cornercorner with one O(2)Li2SiNi trigonal pyramid, corners with two equivalent O(5)LiSiNi2 trigonal pyramids, corners with three equivalent O(1)Li2SiNi trigonal pyramids, and  an edgeedge with one O(3)Li2SiNi tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), and one Si(1) atom to form distorted OLi2SiNi trigonal pyramids that share corners with four equivalent O(3)Li2SiNi tetrahedra,  a cornercorner with one O(1)Li2SiNi trigonal pyramid, corners with three equivalent O(5)LiSiNi2 trigonal pyramids,  an edgeedge with one O(2)Li2SiNi trigonal pyramid, and  an edgeedge with one O(5)LiSiNi2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ni(1), and one Si(1) atom to form distorted OLi2SiNi tetrahedra that share  a cornercorner with one O(1)Li2SiNi trigonal pyramid, corners with four equivalent O(2)Li2SiNi trigonal pyramids, corners with four equivalent O(5)LiSiNi2 trigonal pyramids, and  an edgeedge with one O(1)Li2SiNi trigonal pyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Ni(1), and one Si(1) atom to form distorted OLiSiNi2 trigonal pyramids that share corners with four equivalent O(3)Li2SiNi tetrahedra, corners with two equivalent O(1)Li2SiNi trigonal pyramids, corners with three equivalent O(2)Li2SiNi trigonal pyramids,  an edgeedge with one O(2)Li2SiNi trigonal pyramid, and  an edgeedge with one O(5)LiSiNi2 trigonal pyramid. is represented by the CIF card [CIF]
data_Li4Si3(NiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.308
_cell_length_b   5.308
_cell_length_c   16.681
_cell_angle_alpha   82.925
_cell_angle_beta   82.925
_cell_angle_gamma   61.972
_symmetry_Int_Tables_number   1
_cell_volume   410.611
_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  0.678  0.947  1.0
  Li  Li1  1  0.576  0.793  0.770  1.0
  Li  Li2  1  0.678  0.831  0.447  1.0
  Li  Li3  1  0.793  0.576  0.270  1.0
  Li  Li4  1  0.207  0.424  0.730  1.0
  Li  Li5  1  0.322  0.169  0.553  1.0
  Li  Li6  1  0.424  0.207  0.230  1.0
  Li  Li7  1  0.169  0.322  0.053  1.0
  Si  Si8  1  0.662  0.470  0.598  1.0
  Si  Si9  1  0.887  0.113  0.750  1.0
  Si  Si10  1  0.530  0.338  0.902  1.0
  Si  Si11  1  0.470  0.662  0.098  1.0
  Si  Si12  1  0.113  0.887  0.250  1.0
  Si  Si13  1  0.338  0.530  0.402  1.0
  Ni  Ni14  1  0.194  0.001  0.919  1.0
  Ni  Ni15  1  0.001  0.194  0.419  1.0
  Ni  Ni16  1  0.999  0.806  0.581  1.0
  Ni  Ni17  1  0.806  0.999  0.081  1.0
  O  O18  1  0.923  0.840  0.707  1.0
  O  O19  1  0.840  0.923  0.207  1.0
  O  O20  1  0.630  0.783  0.566  1.0
  O  O21  1  0.553  0.638  0.890  1.0
  O  O22  1  0.791  0.410  0.689  1.0
  O  O23  1  0.784  0.087  0.955  1.0
  O  O24  1  0.913  0.216  0.545  1.0
  O  O25  1  0.783  0.630  0.066  1.0
  O  O26  1  0.638  0.553  0.390  1.0
  O  O27  1  0.590  0.209  0.811  1.0
  O  O28  1  0.410  0.791  0.189  1.0
  O  O29  1  0.362  0.447  0.610  1.0
  O  O30  1  0.217  0.370  0.934  1.0
  O  O31  1  0.087  0.784  0.455  1.0
  O  O32  1  0.216  0.913  0.045  1.0
  O  O33  1  0.209  0.590  0.311  1.0
  O  O34  1  0.447  0.362  0.110  1.0
  O  O35  1  0.370  0.217  0.434  1.0
  O  O36  1  0.160  0.077  0.793  1.0
  O  O37  1  0.077  0.160  0.293  1.0
[/CIF]
.