The material described by Li2Si4O7 crystallizes in the tetragonal I4_1cd space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. 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 corner-sharing SiO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Si(1), and one Si(2) atom. In the second O site, O(4) is bonded in a water-like geometry to two equivalent Si(2) atoms. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(1), and one Si(2) atom. In the fourth O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Si(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Li2Si4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.623
_cell_length_b   9.623
_cell_length_c   9.623
_cell_angle_alpha   116.097
_cell_angle_beta   116.097
_cell_angle_gamma   96.905
_symmetry_Int_Tables_number   1
_cell_volume   662.092
_cell_formula_units_Z   4
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  0.517  0.329  0.492  1.0
  Li  Li1  1  0.775  0.767  0.688  1.0
  Li  Li2  1  0.079  0.087  0.312  1.0
  Li  Li3  1  0.837  0.025  0.508  1.0
  Li  Li4  1  0.337  0.829  0.812  1.0
  Li  Li5  1  0.017  0.525  0.188  1.0
  Li  Li6  1  0.275  0.587  0.008  1.0
  Li  Li7  1  0.579  0.267  0.992  1.0
  Si  Si8  1  0.384  0.397  0.779  1.0
  Si  Si9  1  0.355  0.634  0.487  1.0
  Si  Si10  1  0.147  0.868  0.513  1.0
  Si  Si11  1  0.618  0.605  0.221  1.0
  Si  Si12  1  0.118  0.897  0.013  1.0
  Si  Si13  1  0.884  0.105  0.987  1.0
  Si  Si14  1  0.855  0.368  0.721  1.0
  Si  Si15  1  0.647  0.134  0.279  1.0
  Si  Si16  1  0.036  0.355  0.557  1.0
  Si  Si17  1  0.230  0.286  0.181  1.0
  Si  Si18  1  0.105  0.049  0.819  1.0
  Si  Si19  1  0.799  0.480  0.443  1.0
  Si  Si20  1  0.299  0.855  0.319  1.0
  Si  Si21  1  0.536  0.980  0.681  1.0
  Si  Si22  1  0.730  0.549  0.943  1.0
  Si  Si23  1  0.605  0.786  0.057  1.0
  O  O24  1  0.205  0.332  0.565  1.0
  O  O25  1  0.390  0.455  0.373  1.0
  O  O26  1  0.082  0.017  0.627  1.0
  O  O27  1  0.767  0.640  0.435  1.0
  O  O28  1  0.267  0.832  0.127  1.0
  O  O29  1  0.705  0.140  0.873  1.0
  O  O30  1  0.890  0.517  0.935  1.0
  O  O31  1  0.582  0.955  0.065  1.0
  O  O32  1  0.547  0.419  0.739  1.0
  O  O33  1  0.559  0.797  0.628  1.0
  O  O34  1  0.169  0.931  0.372  1.0
  O  O35  1  0.681  0.809  0.261  1.0
  O  O36  1  0.181  0.919  0.872  1.0
  O  O37  1  0.047  0.309  0.128  1.0
  O  O38  1  0.059  0.431  0.761  1.0
  O  O39  1  0.669  0.297  0.239  1.0
  O  O40  1  0.420  0.623  0.897  1.0
  O  O41  1  0.273  0.670  0.297  1.0
  O  O42  1  0.373  0.976  0.703  1.0
  O  O43  1  0.726  0.523  0.103  1.0
  O  O44  1  0.226  0.123  0.203  1.0
  O  O45  1  0.920  0.023  0.797  1.0
  O  O46  1  0.773  0.476  0.603  1.0
  O  O47  1  0.873  0.170  0.397  1.0
  O  O48  1  0.990  0.490  0.500  1.0
  O  O49  1  0.240  0.240  0.000  1.0
  O  O50  1  0.490  0.990  0.500  1.0
  O  O51  1  0.740  0.740  0.000  1.0
[/CIF]
.
The material described by Li2Si4O7 crystallizes in the tetragonal I4_1cd space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. 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 corner-sharing SiO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Si(1), and one Si(2) atom. In the second O site, O(4) is bonded in a water-like geometry to two equivalent Si(2) atoms. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(1), and one Si(2) atom. In the fourth O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Si(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Li2Si4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.623
_cell_length_b   9.623
_cell_length_c   9.623
_cell_angle_alpha   116.097
_cell_angle_beta   116.097
_cell_angle_gamma   96.905
_symmetry_Int_Tables_number   1
_cell_volume   662.092
_cell_formula_units_Z   4
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  0.517  0.329  0.492  1.0
  Li  Li1  1  0.775  0.767  0.688  1.0
  Li  Li2  1  0.079  0.087  0.312  1.0
  Li  Li3  1  0.837  0.025  0.508  1.0
  Li  Li4  1  0.337  0.829  0.812  1.0
  Li  Li5  1  0.017  0.525  0.188  1.0
  Li  Li6  1  0.275  0.587  0.008  1.0
  Li  Li7  1  0.579  0.267  0.992  1.0
  Si  Si8  1  0.384  0.397  0.779  1.0
  Si  Si9  1  0.355  0.634  0.487  1.0
  Si  Si10  1  0.147  0.868  0.513  1.0
  Si  Si11  1  0.618  0.605  0.221  1.0
  Si  Si12  1  0.118  0.897  0.013  1.0
  Si  Si13  1  0.884  0.105  0.987  1.0
  Si  Si14  1  0.855  0.368  0.721  1.0
  Si  Si15  1  0.647  0.134  0.279  1.0
  Si  Si16  1  0.036  0.355  0.557  1.0
  Si  Si17  1  0.230  0.286  0.181  1.0
  Si  Si18  1  0.105  0.049  0.819  1.0
  Si  Si19  1  0.799  0.480  0.443  1.0
  Si  Si20  1  0.299  0.855  0.319  1.0
  Si  Si21  1  0.536  0.980  0.681  1.0
  Si  Si22  1  0.730  0.549  0.943  1.0
  Si  Si23  1  0.605  0.786  0.057  1.0
  O  O24  1  0.205  0.332  0.565  1.0
  O  O25  1  0.390  0.455  0.373  1.0
  O  O26  1  0.082  0.017  0.627  1.0
  O  O27  1  0.767  0.640  0.435  1.0
  O  O28  1  0.267  0.832  0.127  1.0
  O  O29  1  0.705  0.140  0.873  1.0
  O  O30  1  0.890  0.517  0.935  1.0
  O  O31  1  0.582  0.955  0.065  1.0
  O  O32  1  0.547  0.419  0.739  1.0
  O  O33  1  0.559  0.797  0.628  1.0
  O  O34  1  0.169  0.931  0.372  1.0
  O  O35  1  0.681  0.809  0.261  1.0
  O  O36  1  0.181  0.919  0.872  1.0
  O  O37  1  0.047  0.309  0.128  1.0
  O  O38  1  0.059  0.431  0.761  1.0
  O  O39  1  0.669  0.297  0.239  1.0
  O  O40  1  0.420  0.623  0.897  1.0
  O  O41  1  0.273  0.670  0.297  1.0
  O  O42  1  0.373  0.976  0.703  1.0
  O  O43  1  0.726  0.523  0.103  1.0
  O  O44  1  0.226  0.123  0.203  1.0
  O  O45  1  0.920  0.023  0.797  1.0
  O  O46  1  0.773  0.476  0.603  1.0
  O  O47  1  0.873  0.170  0.397  1.0
  O  O48  1  0.990  0.490  0.500  1.0
  O  O49  1  0.240  0.240  0.000  1.0
  O  O50  1  0.490  0.990  0.500  1.0
  O  O51  1  0.740  0.740  0.000  1.0
[/CIF]
.