The material described by Li4SiO4 is Aluminum carbonitride-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O5 square pyramids, corners with two equivalent Li(3)O5 square pyramids, corners with four equivalent Li(4)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO5 square pyramids that share corners with three equivalent Li(3)O5 square pyramids,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(2)O5 square pyramids, edges with three equivalent Li(3)O5 square pyramids,  an edgeedge with one Si(1)O4 tetrahedra, and edges with two equivalent Li(4)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO5 square pyramids that share corners with three equivalent Li(2)O5 square pyramids,  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, edges with two equivalent Li(3)O5 square pyramids, edges with three equivalent Li(2)O5 square pyramids,  an edgeedge with one Li(4)O4 tetrahedra, and edges with two equivalent Si(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O5 square pyramid, corners with three equivalent Li(3)O5 square pyramids, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra,  an edgeedge with one Li(3)O5 square pyramid, and edges with two equivalent Li(2)O5 square pyramids. 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  a cornercorner with one Li(3)O5 square pyramid, corners with three equivalent Li(2)O5 square pyramids, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(2)O5 square pyramid, and edges with two equivalent Li(3)O5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), two equivalent Li(1), and one Si(1) atom to form distorted OLi5Si octahedra that share corners with two equivalent O(2)Li5Si octahedra, corners with six equivalent O(4)Li3Si tetrahedra,  an edgeedge with one O(1)Li5Si octahedra, edges with two equivalent O(2)Li5Si octahedra, and edges with three equivalent O(3)Li5Si octahedra. The corner-sharing octahedral tilt angles range from 13-14°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(2), two equivalent Li(3), and one Si(1) atom to form distorted OLi5Si octahedra that share corners with two equivalent O(1)Li5Si octahedra, corners with two equivalent O(3)Li5Si octahedra, corners with two equivalent O(4)Li3Si tetrahedra, edges with two equivalent O(1)Li5Si octahedra, edges with two equivalent O(2)Li5Si octahedra, and edges with four equivalent O(3)Li5Si octahedra. The corner-sharing octahedral tilt angles range from 13-29°. In the third O site, O(3) is bonded to one Li(4), two equivalent Li(2), two equivalent Li(3), and one Si(1) atom to form distorted OLi5Si octahedra that share corners with two equivalent O(2)Li5Si octahedra, corners with two equivalent O(4)Li3Si tetrahedra, edges with two equivalent O(3)Li5Si octahedra, edges with three equivalent O(1)Li5Si octahedra, and edges with four equivalent O(2)Li5Si octahedra. The corner-sharing octahedral tilt angles range from 14-29°. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(1), and one Si(1) atom to form OLi3Si tetrahedra that share corners with two equivalent O(2)Li5Si octahedra, corners with two equivalent O(3)Li5Si octahedra, corners with six equivalent O(1)Li5Si octahedra, and  an edgeedge with one O(4)Li3Si tetrahedra. The corner-sharing octahedral tilt angles range from 56-68°. is represented by the CIF card [CIF]
data_Li4SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.982
_cell_length_b   4.984
_cell_length_c   7.459
_cell_angle_alpha   82.628
_cell_angle_beta   70.996
_cell_angle_gamma   68.245
_symmetry_Int_Tables_number   1
_cell_volume   162.633
_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  0.763  0.735  0.005  1.0
  Li  Li1  1  0.237  0.265  0.995  1.0
  Li  Li2  1  0.512  0.762  0.443  1.0
  Li  Li3  1  0.488  0.238  0.557  1.0
  Li  Li4  1  0.077  0.250  0.408  1.0
  Li  Li5  1  0.923  0.750  0.592  1.0
  Li  Li6  1  0.610  0.213  0.194  1.0
  Li  Li7  1  0.390  0.787  0.806  1.0
  Si  Si8  1  0.841  0.218  0.763  1.0
  Si  Si9  1  0.159  0.782  0.237  1.0
  O  O10  1  0.636  0.013  0.806  1.0
  O  O11  1  0.364  0.987  0.194  1.0
  O  O12  1  0.300  0.517  0.375  1.0
  O  O13  1  0.700  0.483  0.625  1.0
  O  O14  1  0.819  0.971  0.369  1.0
  O  O15  1  0.181  0.029  0.631  1.0
  O  O16  1  0.150  0.665  0.047  1.0
  O  O17  1  0.850  0.335  0.953  1.0
[/CIF]
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The material described by Li4SiO4 is Aluminum carbonitride-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O5 square pyramids, corners with two equivalent Li(3)O5 square pyramids, corners with four equivalent Li(4)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO5 square pyramids that share corners with three equivalent Li(3)O5 square pyramids,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(2)O5 square pyramids, edges with three equivalent Li(3)O5 square pyramids,  an edgeedge with one Si(1)O4 tetrahedra, and edges with two equivalent Li(4)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO5 square pyramids that share corners with three equivalent Li(2)O5 square pyramids,  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, edges with two equivalent Li(3)O5 square pyramids, edges with three equivalent Li(2)O5 square pyramids,  an edgeedge with one Li(4)O4 tetrahedra, and edges with two equivalent Si(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O5 square pyramid, corners with three equivalent Li(3)O5 square pyramids, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra,  an edgeedge with one Li(3)O5 square pyramid, and edges with two equivalent Li(2)O5 square pyramids. 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  a cornercorner with one Li(3)O5 square pyramid, corners with three equivalent Li(2)O5 square pyramids, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(2)O5 square pyramid, and edges with two equivalent Li(3)O5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), two equivalent Li(1), and one Si(1) atom to form distorted OLi5Si octahedra that share corners with two equivalent O(2)Li5Si octahedra, corners with six equivalent O(4)Li3Si tetrahedra,  an edgeedge with one O(1)Li5Si octahedra, edges with two equivalent O(2)Li5Si octahedra, and edges with three equivalent O(3)Li5Si octahedra. The corner-sharing octahedral tilt angles range from 13-14°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(2), two equivalent Li(3), and one Si(1) atom to form distorted OLi5Si octahedra that share corners with two equivalent O(1)Li5Si octahedra, corners with two equivalent O(3)Li5Si octahedra, corners with two equivalent O(4)Li3Si tetrahedra, edges with two equivalent O(1)Li5Si octahedra, edges with two equivalent O(2)Li5Si octahedra, and edges with four equivalent O(3)Li5Si octahedra. The corner-sharing octahedral tilt angles range from 13-29°. In the third O site, O(3) is bonded to one Li(4), two equivalent Li(2), two equivalent Li(3), and one Si(1) atom to form distorted OLi5Si octahedra that share corners with two equivalent O(2)Li5Si octahedra, corners with two equivalent O(4)Li3Si tetrahedra, edges with two equivalent O(3)Li5Si octahedra, edges with three equivalent O(1)Li5Si octahedra, and edges with four equivalent O(2)Li5Si octahedra. The corner-sharing octahedral tilt angles range from 14-29°. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(1), and one Si(1) atom to form OLi3Si tetrahedra that share corners with two equivalent O(2)Li5Si octahedra, corners with two equivalent O(3)Li5Si octahedra, corners with six equivalent O(1)Li5Si octahedra, and  an edgeedge with one O(4)Li3Si tetrahedra. The corner-sharing octahedral tilt angles range from 56-68°. is represented by the CIF card [CIF]
data_Li4SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.982
_cell_length_b   4.984
_cell_length_c   7.459
_cell_angle_alpha   82.628
_cell_angle_beta   70.996
_cell_angle_gamma   68.245
_symmetry_Int_Tables_number   1
_cell_volume   162.633
_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  0.763  0.735  0.005  1.0
  Li  Li1  1  0.237  0.265  0.995  1.0
  Li  Li2  1  0.512  0.762  0.443  1.0
  Li  Li3  1  0.488  0.238  0.557  1.0
  Li  Li4  1  0.077  0.250  0.408  1.0
  Li  Li5  1  0.923  0.750  0.592  1.0
  Li  Li6  1  0.610  0.213  0.194  1.0
  Li  Li7  1  0.390  0.787  0.806  1.0
  Si  Si8  1  0.841  0.218  0.763  1.0
  Si  Si9  1  0.159  0.782  0.237  1.0
  O  O10  1  0.636  0.013  0.806  1.0
  O  O11  1  0.364  0.987  0.194  1.0
  O  O12  1  0.300  0.517  0.375  1.0
  O  O13  1  0.700  0.483  0.625  1.0
  O  O14  1  0.819  0.971  0.369  1.0
  O  O15  1  0.181  0.029  0.631  1.0
  O  O16  1  0.150  0.665  0.047  1.0
  O  O17  1  0.850  0.335  0.953  1.0
[/CIF]
.