The material described by Li(SiO2)6 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(6), and two equivalent O(4) atoms to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. In the fourth Si site, Si(4) is bonded to two equivalent O(2) and two equivalent O(6) atoms to form corner-sharing SiO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Si(2), and one Si(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Si(1), and one Si(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(4) atom. is represented by the CIF file [CIF]
data_Li(SiO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.315
_cell_length_b   7.611
_cell_length_c   7.632
_cell_angle_alpha   72.786
_cell_angle_beta   69.625
_cell_angle_gamma   69.564
_symmetry_Int_Tables_number   1
_cell_volume   265.788
_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  0.494  0.250  0.750  1.0
  Si  Si1  1  0.377  0.331  0.331  1.0
  Si  Si2  1  0.040  0.169  0.169  1.0
  Si  Si3  1  0.621  0.672  0.665  1.0
  Si  Si4  1  0.958  0.828  0.835  1.0
  Si  Si5  1  0.994  0.250  0.750  1.0
  Si  Si6  1  0.003  0.750  0.250  1.0
  O  O7  1  0.714  0.432  0.724  1.0
  O  O8  1  0.870  0.068  0.776  1.0
  O  O9  1  0.266  0.563  0.275  1.0
  O  O10  1  0.104  0.937  0.225  1.0
  O  O11  1  0.280  0.263  0.570  1.0
  O  O12  1  0.113  0.237  0.930  1.0
  O  O13  1  0.281  0.739  0.721  1.0
  O  O14  1  0.741  0.761  0.779  1.0
  O  O15  1  0.717  0.272  0.269  1.0
  O  O16  1  0.258  0.228  0.231  1.0
  O  O17  1  0.909  0.761  0.064  1.0
  O  O18  1  0.734  0.739  0.436  1.0
[/CIF]
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The material described by Li(SiO2)6 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(6), and two equivalent O(4) atoms to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. In the fourth Si site, Si(4) is bonded to two equivalent O(2) and two equivalent O(6) atoms to form corner-sharing SiO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Si(2), and one Si(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Si(1), and one Si(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(4) atom. is represented by the CIF file [CIF]
data_Li(SiO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.315
_cell_length_b   7.611
_cell_length_c   7.632
_cell_angle_alpha   72.786
_cell_angle_beta   69.625
_cell_angle_gamma   69.564
_symmetry_Int_Tables_number   1
_cell_volume   265.788
_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  0.494  0.250  0.750  1.0
  Si  Si1  1  0.377  0.331  0.331  1.0
  Si  Si2  1  0.040  0.169  0.169  1.0
  Si  Si3  1  0.621  0.672  0.665  1.0
  Si  Si4  1  0.958  0.828  0.835  1.0
  Si  Si5  1  0.994  0.250  0.750  1.0
  Si  Si6  1  0.003  0.750  0.250  1.0
  O  O7  1  0.714  0.432  0.724  1.0
  O  O8  1  0.870  0.068  0.776  1.0
  O  O9  1  0.266  0.563  0.275  1.0
  O  O10  1  0.104  0.937  0.225  1.0
  O  O11  1  0.280  0.263  0.570  1.0
  O  O12  1  0.113  0.237  0.930  1.0
  O  O13  1  0.281  0.739  0.721  1.0
  O  O14  1  0.741  0.761  0.779  1.0
  O  O15  1  0.717  0.272  0.269  1.0
  O  O16  1  0.258  0.228  0.231  1.0
  O  O17  1  0.909  0.761  0.064  1.0
  O  O18  1  0.734  0.739  0.436  1.0
[/CIF]
.