The material structure described by Li5NiSi2O8 is beta beryllia-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Ni(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Ni(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. Ni(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form NiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. Si(1) 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 Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(1), and one Si(1) atom to form distorted OLi2SiNi tetrahedra that share corners with two equivalent O(2)Li3Si tetrahedra, corners with four equivalent O(3)Li2SiNi tetrahedra, corners with four equivalent O(4)Li3Si tetrahedra, and  an edgeedge with one O(1)Li2SiNi tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), and one Si(1) atom to form distorted OLi3Si tetrahedra that share corners with two equivalent O(1)Li2SiNi tetrahedra, corners with four equivalent O(3)Li2SiNi tetrahedra, corners with four equivalent O(4)Li3Si tetrahedra, and  an edgeedge with one O(2)Li3Si tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Ni(1), and one Si(1) atom to form distorted OLi2SiNi tetrahedra that share corners with two equivalent O(3)Li2SiNi tetrahedra, corners with four equivalent O(1)Li2SiNi tetrahedra, corners with four equivalent O(2)Li3Si tetrahedra, and  an edgeedge with one O(4)Li3Si tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), and one Si(1) atom to form OLi3Si tetrahedra that share corners with two equivalent O(4)Li3Si tetrahedra, corners with four equivalent O(1)Li2SiNi tetrahedra, corners with four equivalent O(2)Li3Si tetrahedra, and  an edgeedge with one O(3)Li2SiNi tetrahedra. is represented by the CIF file [CIF]
data_Li5Si2NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.210
_cell_length_b   5.210
_cell_length_c   6.286
_cell_angle_alpha   89.815
_cell_angle_beta   89.815
_cell_angle_gamma   90.838
_symmetry_Int_Tables_number   1
_cell_volume   170.625
_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  0.800  0.825  0.258  1.0
  Li  Li1  1  0.692  0.308  0.000  1.0
  Li  Li2  1  0.330  0.670  0.500  1.0
  Li  Li3  1  0.683  0.317  0.500  1.0
  Li  Li4  1  0.175  0.200  0.742  1.0
  Si  Si5  1  0.816  0.830  0.746  1.0
  Si  Si6  1  0.170  0.184  0.254  1.0
  Ni  Ni7  1  0.321  0.679  0.000  1.0
  O  O8  1  0.682  0.699  0.966  1.0
  O  O9  1  0.702  0.696  0.535  1.0
  O  O10  1  0.226  0.863  0.237  1.0
  O  O11  1  0.861  0.200  0.249  1.0
  O  O12  1  0.137  0.774  0.763  1.0
  O  O13  1  0.800  0.139  0.751  1.0
  O  O14  1  0.301  0.318  0.034  1.0
  O  O15  1  0.304  0.298  0.465  1.0
[/CIF]
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The material structure described by Li5NiSi2O8 is beta beryllia-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Ni(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Ni(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. Ni(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form NiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. Si(1) 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 Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(1), and one Si(1) atom to form distorted OLi2SiNi tetrahedra that share corners with two equivalent O(2)Li3Si tetrahedra, corners with four equivalent O(3)Li2SiNi tetrahedra, corners with four equivalent O(4)Li3Si tetrahedra, and  an edgeedge with one O(1)Li2SiNi tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), and one Si(1) atom to form distorted OLi3Si tetrahedra that share corners with two equivalent O(1)Li2SiNi tetrahedra, corners with four equivalent O(3)Li2SiNi tetrahedra, corners with four equivalent O(4)Li3Si tetrahedra, and  an edgeedge with one O(2)Li3Si tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Ni(1), and one Si(1) atom to form distorted OLi2SiNi tetrahedra that share corners with two equivalent O(3)Li2SiNi tetrahedra, corners with four equivalent O(1)Li2SiNi tetrahedra, corners with four equivalent O(2)Li3Si tetrahedra, and  an edgeedge with one O(4)Li3Si tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), and one Si(1) atom to form OLi3Si tetrahedra that share corners with two equivalent O(4)Li3Si tetrahedra, corners with four equivalent O(1)Li2SiNi tetrahedra, corners with four equivalent O(2)Li3Si tetrahedra, and  an edgeedge with one O(3)Li2SiNi tetrahedra. is represented by the CIF file [CIF]
data_Li5Si2NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.210
_cell_length_b   5.210
_cell_length_c   6.286
_cell_angle_alpha   89.815
_cell_angle_beta   89.815
_cell_angle_gamma   90.838
_symmetry_Int_Tables_number   1
_cell_volume   170.625
_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  0.800  0.825  0.258  1.0
  Li  Li1  1  0.692  0.308  0.000  1.0
  Li  Li2  1  0.330  0.670  0.500  1.0
  Li  Li3  1  0.683  0.317  0.500  1.0
  Li  Li4  1  0.175  0.200  0.742  1.0
  Si  Si5  1  0.816  0.830  0.746  1.0
  Si  Si6  1  0.170  0.184  0.254  1.0
  Ni  Ni7  1  0.321  0.679  0.000  1.0
  O  O8  1  0.682  0.699  0.966  1.0
  O  O9  1  0.702  0.696  0.535  1.0
  O  O10  1  0.226  0.863  0.237  1.0
  O  O11  1  0.861  0.200  0.249  1.0
  O  O12  1  0.137  0.774  0.763  1.0
  O  O13  1  0.800  0.139  0.751  1.0
  O  O14  1  0.301  0.318  0.034  1.0
  O  O15  1  0.304  0.298  0.465  1.0
[/CIF]
.