The structure described by SiO2 crystallizes in the orthorhombic Pban space group. Si(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four 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 linear geometry to two equivalent Si(1) atoms. In the third O site, O(3) is bonded in an L-shaped geometry to two equivalent Si(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.879
_cell_length_b   8.748
_cell_length_c   9.840
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.901
_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  0.346  0.326  0.608  1.0
  Si  Si1  1  0.654  0.674  0.608  1.0
  Si  Si2  1  0.346  0.826  0.892  1.0
  Si  Si3  1  0.654  0.174  0.892  1.0
  Si  Si4  1  0.346  0.174  0.108  1.0
  Si  Si5  1  0.654  0.826  0.108  1.0
  Si  Si6  1  0.346  0.674  0.392  1.0
  Si  Si7  1  0.654  0.326  0.392  1.0
  O  O8  1  0.000  0.356  0.500  1.0
  O  O9  1  0.500  0.750  0.250  1.0
  O  O10  1  0.500  0.300  0.000  1.0
  O  O11  1  0.500  0.500  0.364  1.0
  O  O12  1  0.000  0.144  0.000  1.0
  O  O13  1  0.500  0.000  0.136  1.0
  O  O14  1  0.500  0.200  0.500  1.0
  O  O15  1  0.500  0.000  0.864  1.0
  O  O16  1  0.500  0.700  0.000  1.0
  O  O17  1  0.000  0.644  0.500  1.0
  O  O18  1  0.500  0.750  0.750  1.0
  O  O19  1  0.500  0.500  0.636  1.0
  O  O20  1  0.500  0.250  0.250  1.0
  O  O21  1  0.500  0.250  0.750  1.0
  O  O22  1  0.000  0.856  0.000  1.0
  O  O23  1  0.500  0.800  0.500  1.0
[/CIF]
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The structure described by SiO2 crystallizes in the orthorhombic Pban space group. Si(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four 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 linear geometry to two equivalent Si(1) atoms. In the third O site, O(3) is bonded in an L-shaped geometry to two equivalent Si(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.879
_cell_length_b   8.748
_cell_length_c   9.840
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.901
_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  0.346  0.326  0.608  1.0
  Si  Si1  1  0.654  0.674  0.608  1.0
  Si  Si2  1  0.346  0.826  0.892  1.0
  Si  Si3  1  0.654  0.174  0.892  1.0
  Si  Si4  1  0.346  0.174  0.108  1.0
  Si  Si5  1  0.654  0.826  0.108  1.0
  Si  Si6  1  0.346  0.674  0.392  1.0
  Si  Si7  1  0.654  0.326  0.392  1.0
  O  O8  1  0.000  0.356  0.500  1.0
  O  O9  1  0.500  0.750  0.250  1.0
  O  O10  1  0.500  0.300  0.000  1.0
  O  O11  1  0.500  0.500  0.364  1.0
  O  O12  1  0.000  0.144  0.000  1.0
  O  O13  1  0.500  0.000  0.136  1.0
  O  O14  1  0.500  0.200  0.500  1.0
  O  O15  1  0.500  0.000  0.864  1.0
  O  O16  1  0.500  0.700  0.000  1.0
  O  O17  1  0.000  0.644  0.500  1.0
  O  O18  1  0.500  0.750  0.750  1.0
  O  O19  1  0.500  0.500  0.636  1.0
  O  O20  1  0.500  0.250  0.250  1.0
  O  O21  1  0.500  0.250  0.750  1.0
  O  O22  1  0.000  0.856  0.000  1.0
  O  O23  1  0.500  0.800  0.500  1.0
[/CIF]
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