data_PCOD3009950
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3009950 R =  0.0110
Probable space group: P 21/C
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   16
_cell_length_a         26.8867
_cell_length_b          5.1924
_cell_length_c         19.1938
_cell_angle_alpha     90.000
_cell_angle_beta     114.189
_cell_angle_gamma     90.000
_cell_volume          2444.29
_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      0.46286   0.49448   0.24114
Si2      0.53195  -0.00734   0.26282
Si3      0.53347   0.52403   0.76407
Si4      0.46459   1.01973   0.74273
Si5      0.53231   0.09006   0.11756
Si6     -0.53750   0.57865   0.39208
Si7     -0.53600  -0.06786  -0.10676
Si8      0.53409   0.42818   0.61759
Si9      0.56485  -0.15510   0.42289
Si10     -0.57219   0.34792   0.08366
Si11     -0.56992   0.17031  -0.41351
Si12      0.56678   0.67356   0.92533
Si13      0.56733   0.34793   0.49296
Si14     -0.57042   0.84924   0.01643
Si15     -0.56922  -0.33302  -0.48312
Si16      0.56661   0.17490   0.99321
O1      0.50935   0.27528   0.26890
O2      0.43594   0.51008   0.30246
O3      0.41743   0.40284   0.15933
O4      0.48491   0.77543   0.23192
O5      0.56248   0.01102   0.20610
O6      0.57377  -0.10603   0.34598
O7      0.48679   0.74146   0.73197
O8      0.56368   0.50495   0.70679
O9      0.57487   0.61925   0.84806
O10      0.51039   0.24271   0.77056
O11      0.43715   0.99689   0.80315
O12      0.41897   1.11429   0.66134
O13      0.49289   0.33435   0.10768
O14      0.57543   0.14505   0.08101
O15      0.49398  -0.14582   0.07037
O16     -0.49725   0.34933   0.43987
O17     -0.58105   0.62764   0.42820
O18     -0.49930   0.82972   0.40411
O19     -0.58030  -0.11326  -0.07160
O20     -0.49772   0.17034  -0.06171
O21     -0.49753  -0.31738  -0.09366
O22      0.57755   0.37141   0.58161
O23      0.49496   0.18351   0.60950
O24      0.49523   0.66253   0.57055
O25      0.59273   0.08117   0.47990
O26      0.59413  -0.41569   0.46603
O27     -0.59732   0.58031   0.02410
O28     -0.59871   0.07973   0.04354
O29     -0.59481  -0.06259  -0.47322
O30     -0.59668   0.43751  -0.45429
O31      0.59400   0.44042   0.98379
O32      0.59397   0.93932   0.96672
#
#_symmetry_space_group_name_H-M  P 21/C
#_symmetry_Int_Tables_number   14
#
#   Coordination Sequence :
#
# PCOD3009950 SiO2            R =  0.0110   14
#   4
#   4  4  4  4
#    4  10  15  20  24  30  35   0   0   0
#    4   8  16  18  26  29  36   0   0   0
#    4   9  14  21  24  30  34   0   0   0
#    4   9  15  19  26  29  35   0   0   0
#
#_framework_density    6.55
#
