The material described by Li2NiSiO4 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(14), one O(22), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(13), one O(21), one O(6), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(17), and one O(24) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, and corners with two equivalent Si(6)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(12), one O(18), one O(2), and one O(23) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(15), one O(19), one O(3), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(10), one O(16), one O(20), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. In the seventh Li site, Li(7) is bonded to one O(1), one O(10), one O(17), and one O(19) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(18), one O(2), one O(20), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and corners with two equivalent Si(6)O4 tetrahedra. In the ninth Li site, Li(9) is bonded to one O(11), one O(13), one O(23), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the tenth Li site, Li(10) is bonded to one O(12), one O(14), one O(24), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the eleventh Li site, Li(11) is bonded to one O(15), one O(21), one O(4), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the twelfth Li site, Li(12) is bonded to one O(16), one O(22), one O(3), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one O(18), one O(20), one O(3), and one O(9) atom. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one O(16), one O(22), one O(6), and one O(8) atom. In the third Ni site, Ni(3) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(13), one O(2), and one O(23) atom. In the fourth Ni site, Ni(4) is bonded in a distorted see-saw-like geometry to one O(10), one O(17), one O(19), and one O(4) atom. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one O(15), one O(21), one O(5), and one O(7) atom. In the sixth Ni site, Ni(6) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(11), one O(14), and one O(24) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(14), one O(23), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, and corners with two equivalent Li(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(13), one O(24), one O(5), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Li(9)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(10), one O(15), one O(21), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, and corners with two equivalent Li(5)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(16), one O(22), one O(4), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, and corners with two equivalent Li(6)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(1), one O(12), one O(18), and one O(19) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and corners with two equivalent Li(7)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(11), one O(17), one O(2), and one O(20) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with two equivalent Li(8)O4 tetrahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(7), one Ni(6), and one Si(5) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the second O site, O(2) is bonded to one Li(4), one Li(8), one Ni(3), and one Si(6) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(12), one Li(5), one Ni(1), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(11), one Li(6), one Ni(4), and one Si(4) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(9), one Ni(5), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the sixth O site, O(6) is bonded to one Li(10), one Li(2), one Ni(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(12), one Ni(5), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(11), one Li(2), one Ni(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi trigonal pyramids. In the ninth O site, O(9) is bonded to one Li(5), one Li(8), one Ni(1), and one Si(4) atom to form distorted corner-sharing OLi2SiNi tetrahedra. In the tenth O site, O(10) is bonded to one Li(6), one Li(7), one Ni(4), and one Si(3) atom to form distorted corner-sharing OLi2SiNi tetrahedra. In the eleventh O site, O(11) is bonded to one Li(3), one Li(9), one Ni(6), and one Si(6) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the twelfth O site, O(12) is bonded to one Li(10), one Li(4), one Ni(3), and one Si(5) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(9), one Ni(3), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(10), one Ni(6), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(11), one Li(5), one Ni(5), and one Si(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(12), one Li(6), one Ni(2), and one Si(4) atom. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(7), one Ni(4), and one Si(6) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(4), one Li(8), one Ni(1), and one Si(5) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the nineteenth O site, O(19) is bonded to one Li(5), one Li(7), one Ni(4), and one Si(5) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the twentieth O site, O(20) is bonded to one Li(6), one Li(8), one Ni(1), and one Si(6) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the twenty-first O site, O(21) is bonded to one Li(11), one Li(2), one Ni(5), and one Si(3) atom to form distorted corner-sharing OLi2SiNi tetrahedra. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(12), one Ni(2), and one Si(4) atom to form distorted corner-sharing OLi2SiNi tetrahedra. In the twenty-third O site, O(23) is bonded to one Li(4), one Li(9), one Ni(3), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Li(10), one Li(3), one Ni(6), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. is represented by the CIF card [CIF]
data_Li2SiNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.975
_cell_length_b   5.008
_cell_length_c   11.465
_cell_angle_alpha   88.115
_cell_angle_beta   88.849
_cell_angle_gamma   60.899
_symmetry_Int_Tables_number   1
_cell_volume   249.448
_cell_formula_units_Z   3
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  0.681  0.440  0.587  1.0
  Li  Li1  1  0.876  0.676  0.926  1.0
  Li  Li2  1  0.447  0.874  0.243  1.0
  Li  Li3  1  0.540  0.338  0.073  1.0
  Li  Li4  1  0.336  0.125  0.746  1.0
  Li  Li5  1  0.126  0.543  0.422  1.0
  Ni  Ni6  1  0.026  0.518  0.184  1.0
  Ni  Ni7  1  0.488  0.964  0.484  1.0
  Ni  Ni8  1  0.552  0.477  0.823  1.0
  O  O9  1  0.839  0.290  0.955  1.0
  O  O10  1  0.835  0.851  0.308  1.0
  O  O11  1  0.305  0.858  0.625  1.0
  O  O12  1  0.893  0.682  0.561  1.0
  O  O13  1  0.671  0.430  0.220  1.0
  O  O14  1  0.424  0.885  0.892  1.0
  O  O15  1  0.721  0.148  0.706  1.0
  O  O16  1  0.148  0.153  0.361  1.0
  O  O17  1  0.115  0.723  0.050  1.0
  O  O18  1  0.305  0.124  0.106  1.0
  O  O19  1  0.568  0.323  0.445  1.0
  O  O20  1  0.122  0.567  0.779  1.0
  Si  Si21  1  0.006  0.816  0.668  1.0
  Si  Si22  1  0.806  0.189  0.333  1.0
  Si  Si23  1  0.171  0.006  0.000  1.0
[/CIF]
.
The material described by Li2NiSiO4 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(14), one O(22), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(13), one O(21), one O(6), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(17), and one O(24) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, and corners with two equivalent Si(6)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(12), one O(18), one O(2), and one O(23) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(15), one O(19), one O(3), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(10), one O(16), one O(20), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. In the seventh Li site, Li(7) is bonded to one O(1), one O(10), one O(17), and one O(19) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(18), one O(2), one O(20), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and corners with two equivalent Si(6)O4 tetrahedra. In the ninth Li site, Li(9) is bonded to one O(11), one O(13), one O(23), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the tenth Li site, Li(10) is bonded to one O(12), one O(14), one O(24), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the eleventh Li site, Li(11) is bonded to one O(15), one O(21), one O(4), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the twelfth Li site, Li(12) is bonded to one O(16), one O(22), one O(3), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one O(18), one O(20), one O(3), and one O(9) atom. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one O(16), one O(22), one O(6), and one O(8) atom. In the third Ni site, Ni(3) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(13), one O(2), and one O(23) atom. In the fourth Ni site, Ni(4) is bonded in a distorted see-saw-like geometry to one O(10), one O(17), one O(19), and one O(4) atom. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one O(15), one O(21), one O(5), and one O(7) atom. In the sixth Ni site, Ni(6) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(11), one O(14), and one O(24) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(14), one O(23), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, and corners with two equivalent Li(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(13), one O(24), one O(5), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Li(9)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(10), one O(15), one O(21), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, and corners with two equivalent Li(5)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(16), one O(22), one O(4), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, and corners with two equivalent Li(6)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(1), one O(12), one O(18), and one O(19) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and corners with two equivalent Li(7)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(11), one O(17), one O(2), and one O(20) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with two equivalent Li(8)O4 tetrahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(7), one Ni(6), and one Si(5) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the second O site, O(2) is bonded to one Li(4), one Li(8), one Ni(3), and one Si(6) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(12), one Li(5), one Ni(1), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(11), one Li(6), one Ni(4), and one Si(4) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(9), one Ni(5), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the sixth O site, O(6) is bonded to one Li(10), one Li(2), one Ni(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(12), one Ni(5), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(11), one Li(2), one Ni(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi trigonal pyramids. In the ninth O site, O(9) is bonded to one Li(5), one Li(8), one Ni(1), and one Si(4) atom to form distorted corner-sharing OLi2SiNi tetrahedra. In the tenth O site, O(10) is bonded to one Li(6), one Li(7), one Ni(4), and one Si(3) atom to form distorted corner-sharing OLi2SiNi tetrahedra. In the eleventh O site, O(11) is bonded to one Li(3), one Li(9), one Ni(6), and one Si(6) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the twelfth O site, O(12) is bonded to one Li(10), one Li(4), one Ni(3), and one Si(5) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(9), one Ni(3), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(10), one Ni(6), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(11), one Li(5), one Ni(5), and one Si(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(12), one Li(6), one Ni(2), and one Si(4) atom. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(7), one Ni(4), and one Si(6) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(4), one Li(8), one Ni(1), and one Si(5) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the nineteenth O site, O(19) is bonded to one Li(5), one Li(7), one Ni(4), and one Si(5) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the twentieth O site, O(20) is bonded to one Li(6), one Li(8), one Ni(1), and one Si(6) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the twenty-first O site, O(21) is bonded to one Li(11), one Li(2), one Ni(5), and one Si(3) atom to form distorted corner-sharing OLi2SiNi tetrahedra. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(12), one Ni(2), and one Si(4) atom to form distorted corner-sharing OLi2SiNi tetrahedra. In the twenty-third O site, O(23) is bonded to one Li(4), one Li(9), one Ni(3), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Li(10), one Li(3), one Ni(6), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. is represented by the CIF card [CIF]
data_Li2SiNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.975
_cell_length_b   5.008
_cell_length_c   11.465
_cell_angle_alpha   88.115
_cell_angle_beta   88.849
_cell_angle_gamma   60.899
_symmetry_Int_Tables_number   1
_cell_volume   249.448
_cell_formula_units_Z   3
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  0.681  0.440  0.587  1.0
  Li  Li1  1  0.876  0.676  0.926  1.0
  Li  Li2  1  0.447  0.874  0.243  1.0
  Li  Li3  1  0.540  0.338  0.073  1.0
  Li  Li4  1  0.336  0.125  0.746  1.0
  Li  Li5  1  0.126  0.543  0.422  1.0
  Ni  Ni6  1  0.026  0.518  0.184  1.0
  Ni  Ni7  1  0.488  0.964  0.484  1.0
  Ni  Ni8  1  0.552  0.477  0.823  1.0
  O  O9  1  0.839  0.290  0.955  1.0
  O  O10  1  0.835  0.851  0.308  1.0
  O  O11  1  0.305  0.858  0.625  1.0
  O  O12  1  0.893  0.682  0.561  1.0
  O  O13  1  0.671  0.430  0.220  1.0
  O  O14  1  0.424  0.885  0.892  1.0
  O  O15  1  0.721  0.148  0.706  1.0
  O  O16  1  0.148  0.153  0.361  1.0
  O  O17  1  0.115  0.723  0.050  1.0
  O  O18  1  0.305  0.124  0.106  1.0
  O  O19  1  0.568  0.323  0.445  1.0
  O  O20  1  0.122  0.567  0.779  1.0
  Si  Si21  1  0.006  0.816  0.668  1.0
  Si  Si22  1  0.806  0.189  0.333  1.0
  Si  Si23  1  0.171  0.006  0.000  1.0
[/CIF]
.