The material structure described by SiO2 is quartz (alpha)-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. Si(1,2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(1,2) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Si(1,2) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Si(1,2) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Si(1,2) atoms. is represented by the CIF file [CIF]
data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.013
_cell_length_b   7.012
_cell_length_c   6.876
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.088
_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  0.055  0.006  0.999  1.0
  Si  Si1  1  0.754  0.195  0.742  1.0
  Si  Si2  1  0.254  0.305  0.258  1.0
  Si  Si3  1  0.445  0.994  0.499  1.0
  Si  Si4  1  0.555  0.494  0.001  1.0
  Si  Si5  1  0.246  0.695  0.758  1.0
  Si  Si6  1  0.945  0.506  0.501  1.0
  Si  Si7  1  0.746  0.805  0.242  1.0
  O  O8  1  0.064  0.570  0.691  1.0
  O  O9  1  0.936  0.070  0.809  1.0
  O  O10  1  0.914  0.946  0.175  1.0
  O  O11  1  0.690  0.671  0.060  1.0
  O  O12  1  0.586  0.054  0.675  1.0
  O  O13  1  0.810  0.329  0.560  1.0
  O  O14  1  0.314  0.820  0.573  1.0
  O  O15  1  0.186  0.180  0.073  1.0
  O  O16  1  0.564  0.930  0.309  1.0
  O  O17  1  0.414  0.554  0.825  1.0
  O  O18  1  0.310  0.171  0.440  1.0
  O  O19  1  0.436  0.430  0.191  1.0
  O  O20  1  0.814  0.680  0.427  1.0
  O  O21  1  0.190  0.829  0.940  1.0
  O  O22  1  0.686  0.320  0.927  1.0
  O  O23  1  0.086  0.446  0.325  1.0
[/CIF]
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The material structure described by SiO2 is quartz (alpha)-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. Si(1,2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(1,2) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Si(1,2) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Si(1,2) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Si(1,2) atoms. is represented by the CIF file [CIF]
data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.013
_cell_length_b   7.012
_cell_length_c   6.876
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.088
_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  0.055  0.006  0.999  1.0
  Si  Si1  1  0.754  0.195  0.742  1.0
  Si  Si2  1  0.254  0.305  0.258  1.0
  Si  Si3  1  0.445  0.994  0.499  1.0
  Si  Si4  1  0.555  0.494  0.001  1.0
  Si  Si5  1  0.246  0.695  0.758  1.0
  Si  Si6  1  0.945  0.506  0.501  1.0
  Si  Si7  1  0.746  0.805  0.242  1.0
  O  O8  1  0.064  0.570  0.691  1.0
  O  O9  1  0.936  0.070  0.809  1.0
  O  O10  1  0.914  0.946  0.175  1.0
  O  O11  1  0.690  0.671  0.060  1.0
  O  O12  1  0.586  0.054  0.675  1.0
  O  O13  1  0.810  0.329  0.560  1.0
  O  O14  1  0.314  0.820  0.573  1.0
  O  O15  1  0.186  0.180  0.073  1.0
  O  O16  1  0.564  0.930  0.309  1.0
  O  O17  1  0.414  0.554  0.825  1.0
  O  O18  1  0.310  0.171  0.440  1.0
  O  O19  1  0.436  0.430  0.191  1.0
  O  O20  1  0.814  0.680  0.427  1.0
  O  O21  1  0.190  0.829  0.940  1.0
  O  O22  1  0.686  0.320  0.927  1.0
  O  O23  1  0.086  0.446  0.325  1.0
[/CIF]
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