The material described by SiO2 is Low Tridymite-like structured and crystallizes in the cubic Im-3m space group. Si(1) is bonded to one O(1) and three equivalent O(2) atoms to form corner-sharing SiO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.559
_cell_length_b   8.559
_cell_length_c   8.559
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   482.648
_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  0.500  0.000  0.000  1.0
  O  O1  1  0.000  0.000  0.500  1.0
  O  O2  1  0.500  0.500  0.500  1.0
  O  O3  1  0.000  0.500  1.000  1.0
  O  O4  1  0.378  0.189  0.189  1.0
  O  O5  1  0.189  0.000  0.811  1.0
  O  O6  1  0.189  0.378  0.189  1.0
  O  O7  1  0.189  0.189  0.378  1.0
  O  O8  1  0.189  0.811  0.000  1.0
  O  O9  1  0.000  0.811  0.189  1.0
  O  O10  1  0.000  0.189  0.811  1.0
  O  O11  1  0.811  0.622  0.811  1.0
  O  O12  1  0.811  0.189  0.000  1.0
  O  O13  1  0.811  0.000  0.189  1.0
  O  O14  1  0.811  0.811  0.622  1.0
  O  O15  1  0.622  0.811  0.811  1.0
  Si  Si16  1  0.314  0.000  0.000  1.0
  Si  Si17  1  0.000  0.000  0.686  1.0
  Si  Si18  1  0.314  0.314  0.314  1.0
  Si  Si19  1  0.000  0.686  0.000  1.0
  Si  Si20  1  0.686  0.686  0.686  1.0
  Si  Si21  1  0.000  0.314  1.000  1.0
  Si  Si22  1  0.000  0.000  0.314  1.0
  Si  Si23  1  0.686  0.000  0.000  1.0
[/CIF]
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The material described by SiO2 is Low Tridymite-like structured and crystallizes in the cubic Im-3m space group. Si(1) is bonded to one O(1) and three equivalent O(2) atoms to form corner-sharing SiO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.559
_cell_length_b   8.559
_cell_length_c   8.559
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   482.648
_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  0.500  0.000  0.000  1.0
  O  O1  1  0.000  0.000  0.500  1.0
  O  O2  1  0.500  0.500  0.500  1.0
  O  O3  1  0.000  0.500  1.000  1.0
  O  O4  1  0.378  0.189  0.189  1.0
  O  O5  1  0.189  0.000  0.811  1.0
  O  O6  1  0.189  0.378  0.189  1.0
  O  O7  1  0.189  0.189  0.378  1.0
  O  O8  1  0.189  0.811  0.000  1.0
  O  O9  1  0.000  0.811  0.189  1.0
  O  O10  1  0.000  0.189  0.811  1.0
  O  O11  1  0.811  0.622  0.811  1.0
  O  O12  1  0.811  0.189  0.000  1.0
  O  O13  1  0.811  0.000  0.189  1.0
  O  O14  1  0.811  0.811  0.622  1.0
  O  O15  1  0.622  0.811  0.811  1.0
  Si  Si16  1  0.314  0.000  0.000  1.0
  Si  Si17  1  0.000  0.000  0.686  1.0
  Si  Si18  1  0.314  0.314  0.314  1.0
  Si  Si19  1  0.000  0.686  0.000  1.0
  Si  Si20  1  0.686  0.686  0.686  1.0
  Si  Si21  1  0.000  0.314  1.000  1.0
  Si  Si22  1  0.000  0.000  0.314  1.0
  Si  Si23  1  0.686  0.000  0.000  1.0
[/CIF]
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