The material structure described by SiO2 crystallizes in the tetragonal I-42m space group. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent O(1) and two equivalent O(2) 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 120 degrees geometry to two equivalent Si(2) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the third O site, O(3) 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   9.516
_cell_length_b   9.516
_cell_length_c   9.516
_cell_angle_alpha   94.176
_cell_angle_beta   94.176
_cell_angle_gamma   148.688
_symmetry_Int_Tables_number   1
_cell_volume   431.193
_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
  Si  Si0  1  0.929  0.929  0.400  1.0
  Si  Si1  1  0.471  0.071  0.000  1.0
  Si  Si2  1  0.500  0.654  0.154  1.0
  Si  Si3  1  0.529  0.529  0.600  1.0
  Si  Si4  1  0.346  0.500  0.846  1.0
  Si  Si5  1  0.654  0.500  0.154  1.0
  Si  Si6  1  0.500  0.346  0.846  1.0
  Si  Si7  1  0.071  0.471  0.000  1.0
  O  O8  1  0.253  0.253  0.841  1.0
  O  O9  1  0.088  0.386  0.853  1.0
  O  O10  1  0.252  0.252  0.468  1.0
  O  O11  1  0.412  0.412  0.159  1.0
  O  O12  1  0.215  0.748  0.000  1.0
  O  O13  1  0.235  0.533  0.147  1.0
  O  O14  1  0.533  0.235  0.147  1.0
  O  O15  1  0.785  0.785  0.532  1.0
  O  O16  1  0.467  0.614  0.702  1.0
  O  O17  1  0.912  0.765  0.298  1.0
  O  O18  1  0.588  0.747  0.000  1.0
  O  O19  1  0.747  0.588  0.000  1.0
  O  O20  1  0.748  0.215  0.000  1.0
  O  O21  1  0.765  0.912  0.298  1.0
  O  O22  1  0.614  0.467  0.702  1.0
  O  O23  1  0.386  0.088  0.853  1.0
[/CIF]
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The material structure described by SiO2 crystallizes in the tetragonal I-42m space group. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent O(1) and two equivalent O(2) 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 120 degrees geometry to two equivalent Si(2) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the third O site, O(3) 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   9.516
_cell_length_b   9.516
_cell_length_c   9.516
_cell_angle_alpha   94.176
_cell_angle_beta   94.176
_cell_angle_gamma   148.688
_symmetry_Int_Tables_number   1
_cell_volume   431.193
_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
  Si  Si0  1  0.929  0.929  0.400  1.0
  Si  Si1  1  0.471  0.071  0.000  1.0
  Si  Si2  1  0.500  0.654  0.154  1.0
  Si  Si3  1  0.529  0.529  0.600  1.0
  Si  Si4  1  0.346  0.500  0.846  1.0
  Si  Si5  1  0.654  0.500  0.154  1.0
  Si  Si6  1  0.500  0.346  0.846  1.0
  Si  Si7  1  0.071  0.471  0.000  1.0
  O  O8  1  0.253  0.253  0.841  1.0
  O  O9  1  0.088  0.386  0.853  1.0
  O  O10  1  0.252  0.252  0.468  1.0
  O  O11  1  0.412  0.412  0.159  1.0
  O  O12  1  0.215  0.748  0.000  1.0
  O  O13  1  0.235  0.533  0.147  1.0
  O  O14  1  0.533  0.235  0.147  1.0
  O  O15  1  0.785  0.785  0.532  1.0
  O  O16  1  0.467  0.614  0.702  1.0
  O  O17  1  0.912  0.765  0.298  1.0
  O  O18  1  0.588  0.747  0.000  1.0
  O  O19  1  0.747  0.588  0.000  1.0
  O  O20  1  0.748  0.215  0.000  1.0
  O  O21  1  0.765  0.912  0.298  1.0
  O  O22  1  0.614  0.467  0.702  1.0
  O  O23  1  0.386  0.088  0.853  1.0
[/CIF]
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