The structure described by Li2NiSi3O8 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. Ni(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form NiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(2), one Ni(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Si(1), and one Si(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Si(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Si(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Ni(1), and one Si(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one Si(3) atom. is represented by the CIF file [CIF]
data_Li2Si3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.080
_cell_length_b   4.936
_cell_length_c   6.780
_cell_angle_alpha   89.423
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   337.277
_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  0.853  0.070  0.751  1.0
  Li  Li1  1  0.353  0.930  0.249  1.0
  Li  Li2  1  0.659  0.592  0.264  1.0
  Li  Li3  1  0.159  0.408  0.736  1.0
  Si  Si4  1  0.664  0.557  0.774  1.0
  Si  Si5  1  0.088  0.948  0.481  1.0
  Si  Si6  1  0.588  0.052  0.519  1.0
  Si  Si7  1  0.164  0.443  0.226  1.0
  Si  Si8  1  0.406  0.404  0.973  1.0
  Si  Si9  1  0.906  0.596  0.027  1.0
  Ni  Ni10  1  0.839  0.079  0.252  1.0
  Ni  Ni11  1  0.339  0.921  0.748  1.0
  O  O12  1  0.158  0.019  0.687  1.0
  O  O13  1  0.661  0.878  0.707  1.0
  O  O14  1  0.121  0.626  0.418  1.0
  O  O15  1  0.432  0.987  0.502  1.0
  O  O16  1  0.621  0.374  0.582  1.0
  O  O17  1  0.932  0.013  0.498  1.0
  O  O18  1  0.161  0.122  0.293  1.0
  O  O19  1  0.658  0.981  0.313  1.0
  O  O20  1  0.319  0.530  0.169  1.0
  O  O21  1  0.835  0.477  0.223  1.0
  O  O22  1  0.066  0.488  0.028  1.0
  O  O23  1  0.400  0.081  0.999  1.0
  O  O24  1  0.566  0.512  0.972  1.0
  O  O25  1  0.900  0.919  0.001  1.0
  O  O26  1  0.335  0.523  0.777  1.0
  O  O27  1  0.819  0.470  0.831  1.0
[/CIF]
.
The structure described by Li2NiSi3O8 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. Ni(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form NiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(2), one Ni(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Si(1), and one Si(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Si(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Si(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Ni(1), and one Si(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one Si(3) atom. is represented by the CIF file [CIF]
data_Li2Si3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.080
_cell_length_b   4.936
_cell_length_c   6.780
_cell_angle_alpha   89.423
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   337.277
_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  0.853  0.070  0.751  1.0
  Li  Li1  1  0.353  0.930  0.249  1.0
  Li  Li2  1  0.659  0.592  0.264  1.0
  Li  Li3  1  0.159  0.408  0.736  1.0
  Si  Si4  1  0.664  0.557  0.774  1.0
  Si  Si5  1  0.088  0.948  0.481  1.0
  Si  Si6  1  0.588  0.052  0.519  1.0
  Si  Si7  1  0.164  0.443  0.226  1.0
  Si  Si8  1  0.406  0.404  0.973  1.0
  Si  Si9  1  0.906  0.596  0.027  1.0
  Ni  Ni10  1  0.839  0.079  0.252  1.0
  Ni  Ni11  1  0.339  0.921  0.748  1.0
  O  O12  1  0.158  0.019  0.687  1.0
  O  O13  1  0.661  0.878  0.707  1.0
  O  O14  1  0.121  0.626  0.418  1.0
  O  O15  1  0.432  0.987  0.502  1.0
  O  O16  1  0.621  0.374  0.582  1.0
  O  O17  1  0.932  0.013  0.498  1.0
  O  O18  1  0.161  0.122  0.293  1.0
  O  O19  1  0.658  0.981  0.313  1.0
  O  O20  1  0.319  0.530  0.169  1.0
  O  O21  1  0.835  0.477  0.223  1.0
  O  O22  1  0.066  0.488  0.028  1.0
  O  O23  1  0.400  0.081  0.999  1.0
  O  O24  1  0.566  0.512  0.972  1.0
  O  O25  1  0.900  0.919  0.001  1.0
  O  O26  1  0.335  0.523  0.777  1.0
  O  O27  1  0.819  0.470  0.831  1.0
[/CIF]
.