The material structure described by SiO2 is Low Tridymite-like structured and crystallizes in the triclinic P1 space group. There are twelve inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(12), one O(15), and one O(18) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(10), one O(14), one O(23), and one O(24) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(10), one O(17), one O(18), and one O(6) atom to form corner-sharing SiO4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(13), one O(20), one O(23), and one O(4) atom to form corner-sharing SiO4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(2), one O(22), one O(4), and one O(5) atom to form corner-sharing SiO4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(15), one O(22), one O(24), and one O(3) atom to form corner-sharing SiO4 tetrahedra. In the seventh Si site, Si(7) is bonded to one O(19), one O(21), one O(3), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the eighth Si site, Si(8) is bonded to one O(11), one O(14), one O(19), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the ninth Si site, Si(9) is bonded to one O(16), one O(20), one O(6), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the tenth Si site, Si(10) is bonded to one O(1), one O(11), one O(2), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the eleventh Si site, Si(11) is bonded to one O(12), one O(16), one O(21), and one O(5) atom to form corner-sharing SiO4 tetrahedra. In the twelfth Si site, Si(12) is bonded to one O(13), one O(17), one O(7), and one O(8) atom to form corner-sharing SiO4 tetrahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(10) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(10) and one Si(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(6) and one Si(7) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(11) and one Si(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(9) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(10) and one Si(12) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(12) and one Si(7) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(8) and one Si(9) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Si(10) and one Si(8) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(11) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Si(12) and one Si(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(8) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(6) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Si(11) and one Si(9) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Si(12) and one Si(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Si(7) and one Si(8) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(9) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Si(11) and one Si(7) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Si(5) and one Si(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(6) atom. is represented by the CIF card [CIF]
data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.905
_cell_length_b   9.130
_cell_length_c   9.168
_cell_angle_alpha   111.548
_cell_angle_beta   98.155
_cell_angle_gamma   98.943
_symmetry_Int_Tables_number   1
_cell_volume   668.611
_cell_formula_units_Z   12
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  0.339  0.901  0.712  1.0
  Si  Si1  1  0.709  0.809  0.007  1.0
  Si  Si2  1  0.695  0.008  0.800  1.0
  Si  Si3  1  0.689  0.111  0.306  1.0
  Si  Si4  1  0.332  0.001  0.218  1.0
  Si  Si5  1  0.353  0.700  0.921  1.0
  Si  Si6  1  0.119  0.393  0.892  1.0
  Si  Si7  1  0.909  0.594  0.100  1.0
  Si  Si8  1  0.675  0.309  0.100  1.0
  Si  Si9  1  0.118  0.878  0.406  1.0
  Si  Si10  1  0.318  0.200  0.011  1.0
  Si  Si11  1  0.910  0.103  0.591  1.0
  O  O12  1  0.227  0.843  0.539  1.0
  O  O13  1  0.222  0.991  0.339  1.0
  O  O14  1  0.252  0.522  0.872  1.0
  O  O15  1  0.508  0.084  0.319  1.0
  O  O16  1  0.273  0.109  0.126  1.0
  O  O17  1  0.703  0.185  0.933  1.0
  O  O18  1  0.990  0.970  0.481  1.0
  O  O19  1  0.040  0.258  0.715  1.0
  O  O20  1  0.773  0.487  0.142  1.0
  O  O21  1  0.749  0.895  0.888  1.0
  O  O22  1  0.034  0.707  0.262  1.0
  O  O23  1  0.307  0.068  0.833  1.0
  O  O24  1  0.797  0.162  0.480  1.0
  O  O25  1  0.834  0.702  0.018  1.0
  O  O26  1  0.303  0.763  0.782  1.0
  O  O27  1  0.492  0.311  0.084  1.0
  O  O28  1  0.809  0.021  0.684  1.0
  O  O29  1  0.518  0.929  0.696  1.0
  O  O30  1  0.991  0.478  0.973  1.0
  O  O31  1  0.730  0.252  0.243  1.0
  O  O32  1  0.197  0.311  0.004  1.0
  O  O33  1  0.323  0.821  0.089  1.0
  O  O34  1  0.719  0.944  0.184  1.0
  O  O35  1  0.535  0.695  0.940  1.0
[/CIF]
.
The material structure described by SiO2 is Low Tridymite-like structured and crystallizes in the triclinic P1 space group. There are twelve inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(12), one O(15), and one O(18) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(10), one O(14), one O(23), and one O(24) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(10), one O(17), one O(18), and one O(6) atom to form corner-sharing SiO4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(13), one O(20), one O(23), and one O(4) atom to form corner-sharing SiO4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(2), one O(22), one O(4), and one O(5) atom to form corner-sharing SiO4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(15), one O(22), one O(24), and one O(3) atom to form corner-sharing SiO4 tetrahedra. In the seventh Si site, Si(7) is bonded to one O(19), one O(21), one O(3), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the eighth Si site, Si(8) is bonded to one O(11), one O(14), one O(19), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the ninth Si site, Si(9) is bonded to one O(16), one O(20), one O(6), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the tenth Si site, Si(10) is bonded to one O(1), one O(11), one O(2), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the eleventh Si site, Si(11) is bonded to one O(12), one O(16), one O(21), and one O(5) atom to form corner-sharing SiO4 tetrahedra. In the twelfth Si site, Si(12) is bonded to one O(13), one O(17), one O(7), and one O(8) atom to form corner-sharing SiO4 tetrahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(10) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(10) and one Si(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(6) and one Si(7) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(11) and one Si(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(9) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(10) and one Si(12) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(12) and one Si(7) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(8) and one Si(9) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Si(10) and one Si(8) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(11) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Si(12) and one Si(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(8) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(6) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Si(11) and one Si(9) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Si(12) and one Si(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Si(7) and one Si(8) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(9) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Si(11) and one Si(7) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Si(5) and one Si(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(6) atom. is represented by the CIF card [CIF]
data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.905
_cell_length_b   9.130
_cell_length_c   9.168
_cell_angle_alpha   111.548
_cell_angle_beta   98.155
_cell_angle_gamma   98.943
_symmetry_Int_Tables_number   1
_cell_volume   668.611
_cell_formula_units_Z   12
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  0.339  0.901  0.712  1.0
  Si  Si1  1  0.709  0.809  0.007  1.0
  Si  Si2  1  0.695  0.008  0.800  1.0
  Si  Si3  1  0.689  0.111  0.306  1.0
  Si  Si4  1  0.332  0.001  0.218  1.0
  Si  Si5  1  0.353  0.700  0.921  1.0
  Si  Si6  1  0.119  0.393  0.892  1.0
  Si  Si7  1  0.909  0.594  0.100  1.0
  Si  Si8  1  0.675  0.309  0.100  1.0
  Si  Si9  1  0.118  0.878  0.406  1.0
  Si  Si10  1  0.318  0.200  0.011  1.0
  Si  Si11  1  0.910  0.103  0.591  1.0
  O  O12  1  0.227  0.843  0.539  1.0
  O  O13  1  0.222  0.991  0.339  1.0
  O  O14  1  0.252  0.522  0.872  1.0
  O  O15  1  0.508  0.084  0.319  1.0
  O  O16  1  0.273  0.109  0.126  1.0
  O  O17  1  0.703  0.185  0.933  1.0
  O  O18  1  0.990  0.970  0.481  1.0
  O  O19  1  0.040  0.258  0.715  1.0
  O  O20  1  0.773  0.487  0.142  1.0
  O  O21  1  0.749  0.895  0.888  1.0
  O  O22  1  0.034  0.707  0.262  1.0
  O  O23  1  0.307  0.068  0.833  1.0
  O  O24  1  0.797  0.162  0.480  1.0
  O  O25  1  0.834  0.702  0.018  1.0
  O  O26  1  0.303  0.763  0.782  1.0
  O  O27  1  0.492  0.311  0.084  1.0
  O  O28  1  0.809  0.021  0.684  1.0
  O  O29  1  0.518  0.929  0.696  1.0
  O  O30  1  0.991  0.478  0.973  1.0
  O  O31  1  0.730  0.252  0.243  1.0
  O  O32  1  0.197  0.311  0.004  1.0
  O  O33  1  0.323  0.821  0.089  1.0
  O  O34  1  0.719  0.944  0.184  1.0
  O  O35  1  0.535  0.695  0.940  1.0
[/CIF]
.