The material structure described by SiO2 is quartz (alpha)-like structured and crystallizes in the triclinic P-1 space group. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(14), one O(16), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(13), one O(15), one O(7), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(1), one O(10), one O(12), and one O(2) atom to form corner-sharing SiO4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(1), one O(10), one O(12), and one O(5) atom to form corner-sharing SiO4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(16), one O(2), one O(4), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the seventh Si site, Si(7) is bonded to one O(11), one O(14), one O(15), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the eighth Si site, Si(8) is bonded to one O(13), one O(3), one O(4), and one O(6) atom to form corner-sharing SiO4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(8) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(6) and one Si(8) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(3) 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(8) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(7) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(6) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Si(4) and one Si(5) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(7) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(8) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one Si(1) and one Si(7) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(7) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Si(1) 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   5.017
_cell_length_b   12.680
_cell_length_c   14.825
_cell_angle_alpha   103.143
_cell_angle_beta   90.939
_cell_angle_gamma   100.655
_symmetry_Int_Tables_number   1
_cell_volume   900.867
_cell_formula_units_Z   16
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  0.882  0.902  0.356  1.0
  Si  Si1  1  0.706  0.283  0.426  1.0
  Si  Si2  1  0.659  0.443  0.302  1.0
  Si  Si3  1  0.659  0.388  0.904  1.0
  Si  Si4  1  0.341  0.612  0.096  1.0
  Si  Si5  1  0.221  0.527  0.891  1.0
  Si  Si6  1  0.118  0.098  0.644  1.0
  Si  Si7  1  0.779  0.473  0.109  1.0
  Si  Si8  1  0.674  0.218  0.729  1.0
  Si  Si9  1  0.294  0.717  0.574  1.0
  Si  Si10  1  0.855  0.855  0.559  1.0
  Si  Si11  1  0.771  0.417  0.628  1.0
  Si  Si12  1  0.145  0.145  0.441  1.0
  Si  Si13  1  0.229  0.583  0.372  1.0
  Si  Si14  1  0.326  0.782  0.271  1.0
  Si  Si15  1  0.341  0.557  0.698  1.0
  O  O16  1  0.102  0.522  0.124  1.0
  O  O17  1  0.353  0.733  0.162  1.0
  O  O18  1  0.623  0.518  0.671  1.0
  O  O19  1  0.333  0.686  0.327  1.0
  O  O20  1  0.682  0.414  0.191  1.0
  O  O21  1  0.905  0.542  0.351  1.0
  O  O22  1  0.671  0.332  0.336  1.0
  O  O23  1  0.647  0.267  0.838  1.0
  O  O24  1  0.991  0.241  0.424  1.0
  O  O25  1  0.377  0.482  0.329  1.0
  O  O26  1  0.095  0.458  0.649  1.0
  O  O27  1  0.955  0.174  0.716  1.0
  O  O28  1  0.713  0.382  0.011  1.0
  O  O29  1  0.981  0.970  0.630  1.0
  O  O30  1  0.287  0.618  0.989  1.0
  O  O31  1  0.373  0.426  0.892  1.0
  O  O32  1  0.703  0.380  0.518  1.0
  O  O33  1  0.019  0.030  0.370  1.0
  O  O34  1  0.111  0.133  0.546  1.0
  O  O35  1  0.329  0.668  0.664  1.0
  O  O36  1  0.537  0.821  0.576  1.0
  O  O37  1  0.463  0.179  0.424  1.0
  O  O38  1  0.898  0.478  0.876  1.0
  O  O39  1  0.889  0.867  0.454  1.0
  O  O40  1  0.426  0.117  0.686  1.0
  O  O41  1  0.627  0.574  0.108  1.0
  O  O42  1  0.045  0.826  0.284  1.0
  O  O43  1  0.009  0.759  0.576  1.0
  O  O44  1  0.297  0.620  0.482  1.0
  O  O45  1  0.667  0.314  0.673  1.0
  O  O46  1  0.574  0.883  0.314  1.0
  O  O47  1  0.318  0.586  0.809  1.0
[/CIF]
.
The material structure described by SiO2 is quartz (alpha)-like structured and crystallizes in the triclinic P-1 space group. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(14), one O(16), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(13), one O(15), one O(7), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(1), one O(10), one O(12), and one O(2) atom to form corner-sharing SiO4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(1), one O(10), one O(12), and one O(5) atom to form corner-sharing SiO4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(16), one O(2), one O(4), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the seventh Si site, Si(7) is bonded to one O(11), one O(14), one O(15), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the eighth Si site, Si(8) is bonded to one O(13), one O(3), one O(4), and one O(6) atom to form corner-sharing SiO4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(8) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(6) and one Si(8) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(3) 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(8) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(7) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(6) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Si(4) and one Si(5) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(7) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(8) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one Si(1) and one Si(7) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(7) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Si(1) 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   5.017
_cell_length_b   12.680
_cell_length_c   14.825
_cell_angle_alpha   103.143
_cell_angle_beta   90.939
_cell_angle_gamma   100.655
_symmetry_Int_Tables_number   1
_cell_volume   900.867
_cell_formula_units_Z   16
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  0.882  0.902  0.356  1.0
  Si  Si1  1  0.706  0.283  0.426  1.0
  Si  Si2  1  0.659  0.443  0.302  1.0
  Si  Si3  1  0.659  0.388  0.904  1.0
  Si  Si4  1  0.341  0.612  0.096  1.0
  Si  Si5  1  0.221  0.527  0.891  1.0
  Si  Si6  1  0.118  0.098  0.644  1.0
  Si  Si7  1  0.779  0.473  0.109  1.0
  Si  Si8  1  0.674  0.218  0.729  1.0
  Si  Si9  1  0.294  0.717  0.574  1.0
  Si  Si10  1  0.855  0.855  0.559  1.0
  Si  Si11  1  0.771  0.417  0.628  1.0
  Si  Si12  1  0.145  0.145  0.441  1.0
  Si  Si13  1  0.229  0.583  0.372  1.0
  Si  Si14  1  0.326  0.782  0.271  1.0
  Si  Si15  1  0.341  0.557  0.698  1.0
  O  O16  1  0.102  0.522  0.124  1.0
  O  O17  1  0.353  0.733  0.162  1.0
  O  O18  1  0.623  0.518  0.671  1.0
  O  O19  1  0.333  0.686  0.327  1.0
  O  O20  1  0.682  0.414  0.191  1.0
  O  O21  1  0.905  0.542  0.351  1.0
  O  O22  1  0.671  0.332  0.336  1.0
  O  O23  1  0.647  0.267  0.838  1.0
  O  O24  1  0.991  0.241  0.424  1.0
  O  O25  1  0.377  0.482  0.329  1.0
  O  O26  1  0.095  0.458  0.649  1.0
  O  O27  1  0.955  0.174  0.716  1.0
  O  O28  1  0.713  0.382  0.011  1.0
  O  O29  1  0.981  0.970  0.630  1.0
  O  O30  1  0.287  0.618  0.989  1.0
  O  O31  1  0.373  0.426  0.892  1.0
  O  O32  1  0.703  0.380  0.518  1.0
  O  O33  1  0.019  0.030  0.370  1.0
  O  O34  1  0.111  0.133  0.546  1.0
  O  O35  1  0.329  0.668  0.664  1.0
  O  O36  1  0.537  0.821  0.576  1.0
  O  O37  1  0.463  0.179  0.424  1.0
  O  O38  1  0.898  0.478  0.876  1.0
  O  O39  1  0.889  0.867  0.454  1.0
  O  O40  1  0.426  0.117  0.686  1.0
  O  O41  1  0.627  0.574  0.108  1.0
  O  O42  1  0.045  0.826  0.284  1.0
  O  O43  1  0.009  0.759  0.576  1.0
  O  O44  1  0.297  0.620  0.482  1.0
  O  O45  1  0.667  0.314  0.673  1.0
  O  O46  1  0.574  0.883  0.314  1.0
  O  O47  1  0.318  0.586  0.809  1.0
[/CIF]
.