data_PCOD3007213
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3007213 R =  0.0086
Probable space group: P B C M
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   12
_cell_length_a         23.1536
_cell_length_b          7.3159
_cell_length_c         10.2266
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1732.27
_symmetry_space_group_name_H-M   "P 1"
_symmetry_Int_Tables_number  1
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1      0.53675   0.25405   0.00551
Si2      0.45968   0.75638   0.50919
Si3      0.45721   0.76044  -0.00658
Si4      0.54002   0.24899   0.50067
Si5      0.56876  -0.10800  -0.10345
Si6     -0.57058   0.11784   0.39715
Si7     -0.56964   0.38428   0.60925
Si8      0.56532   0.62530   0.10812
Si9     -0.57369   0.12290   0.10865
Si10      0.56982  -0.11346   0.61079
Si11      0.56849   0.62085   0.39693
Si12     -0.57297   0.38780  -0.10406
O1      0.57788   0.10072  -0.05806
O2      0.57487   0.41345   0.07075
O3      0.49492   0.16258   0.11332
O4      0.49541   0.34301  -0.10435
O5      0.50012   0.66590   0.39825
O6      0.42147   0.59692   0.57449
O7      0.50119   0.84818   0.61744
O8      0.41906   0.91038   0.44452
O9      0.49722   0.67130   0.10619
O10      0.41870   0.60176  -0.07242
O11      0.50030   0.85061  -0.11230
O12      0.41691   0.91658   0.05730
O13      0.58059   0.09437   0.56455
O14      0.57765   0.40865   0.43387
O15      0.49797   0.15732   0.39307
O16      0.49849   0.33747   0.61076
O17      0.59681  -0.24597   0.00183
O18      0.59674  -0.14173  -0.24555
O19     -0.59974   0.25738   0.49995
O20     -0.59879   0.14686   0.25444
O21     -0.59681   0.34332   0.75137
O22      0.59188   0.66167   0.25155
O23     -0.60292   0.26363   0.00686
O24      0.59838  -0.25048   0.50554
#
#_symmetry_space_group_name_H-M  P B C M
#_symmetry_Int_Tables_number   57
#
#   Starting Wyckoff positions:
#
#    1     4c     0.5562   0.2500   0.0000
#    2     8e     0.5828  -0.1126  -0.0947
#
#   Coordination Sequence :
#
# PCOD3007213 SiO2            R =  0.0086   57
#   2
#   4  8
#    4   8  16  18  26  32  38  42  48  52
#    4   9  15  21  27  32  37  43  49  55
#
#_framework_density    6.93
#
