The crystal structure described by SiO2 is quartz (beta)-like structured and crystallizes in the tetragonal I4/mmm space group. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing SiO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the second O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the third O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.248
_cell_length_b   9.583
_cell_length_c   9.583
_cell_angle_alpha   85.700
_cell_angle_beta   74.108
_cell_angle_gamma   74.108
_symmetry_Int_Tables_number   1
_cell_volume   445.788
_cell_formula_units_Z   8
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
  O  O0  1  0.607  0.500  0.786  1.0
  O  O1  1  0.107  0.786  0.500  1.0
  O  O2  1  0.393  0.214  0.500  1.0
  O  O3  1  0.893  0.500  0.214  1.0
  O  O4  1  0.393  0.500  0.214  1.0
  O  O5  1  0.893  0.214  0.500  1.0
  O  O6  1  0.607  0.786  0.500  1.0
  O  O7  1  0.107  0.500  0.786  1.0
  O  O8  1  0.500  0.257  0.743  1.0
  O  O9  1  0.757  0.743  0.743  1.0
  O  O10  1  0.243  0.257  0.257  1.0
  O  O11  1  0.500  0.743  0.257  1.0
  O  O12  1  0.313  0.373  1.000  1.0
  O  O13  1  0.687  0.000  0.627  1.0
  O  O14  1  0.313  1.000  0.373  1.0
  O  O15  1  0.687  0.627  1.000  1.0
  Si  Si16  1  0.381  0.408  0.829  1.0
  Si  Si17  1  0.790  0.829  0.592  1.0
  Si  Si18  1  0.210  0.171  0.408  1.0
  Si  Si19  1  0.381  0.829  0.408  1.0
  Si  Si20  1  0.619  0.171  0.592  1.0
  Si  Si21  1  0.619  0.592  0.171  1.0
  Si  Si22  1  0.210  0.408  0.171  1.0
  Si  Si23  1  0.790  0.592  0.829  1.0
[/CIF]
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The crystal structure described by SiO2 is quartz (beta)-like structured and crystallizes in the tetragonal I4/mmm space group. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing SiO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the second O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the third O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.248
_cell_length_b   9.583
_cell_length_c   9.583
_cell_angle_alpha   85.700
_cell_angle_beta   74.108
_cell_angle_gamma   74.108
_symmetry_Int_Tables_number   1
_cell_volume   445.788
_cell_formula_units_Z   8
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
  O  O0  1  0.607  0.500  0.786  1.0
  O  O1  1  0.107  0.786  0.500  1.0
  O  O2  1  0.393  0.214  0.500  1.0
  O  O3  1  0.893  0.500  0.214  1.0
  O  O4  1  0.393  0.500  0.214  1.0
  O  O5  1  0.893  0.214  0.500  1.0
  O  O6  1  0.607  0.786  0.500  1.0
  O  O7  1  0.107  0.500  0.786  1.0
  O  O8  1  0.500  0.257  0.743  1.0
  O  O9  1  0.757  0.743  0.743  1.0
  O  O10  1  0.243  0.257  0.257  1.0
  O  O11  1  0.500  0.743  0.257  1.0
  O  O12  1  0.313  0.373  1.000  1.0
  O  O13  1  0.687  0.000  0.627  1.0
  O  O14  1  0.313  1.000  0.373  1.0
  O  O15  1  0.687  0.627  1.000  1.0
  Si  Si16  1  0.381  0.408  0.829  1.0
  Si  Si17  1  0.790  0.829  0.592  1.0
  Si  Si18  1  0.210  0.171  0.408  1.0
  Si  Si19  1  0.381  0.829  0.408  1.0
  Si  Si20  1  0.619  0.171  0.592  1.0
  Si  Si21  1  0.619  0.592  0.171  1.0
  Si  Si22  1  0.210  0.408  0.171  1.0
  Si  Si23  1  0.790  0.592  0.829  1.0
[/CIF]
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