data_PCOD 200006
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD 200006 R =  0.0176
Probable space group: C 2 2 21                            
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   28
_cell_length_a          2.7133
_cell_length_b         25.4853
_cell_length_c         38.3866
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2654.38
_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      0.00313   0.07221   0.25212
Si2      0.00803   0.92271   0.74923
Si3      0.51955   0.57406   0.25110
Si4      0.50219   0.43691   0.75001
Si5      0.02382   0.04517   0.17458
Si6     -0.03279  -0.04074   0.67449
Si7     -0.03306   0.04192   0.32661
Si8      0.06064  -0.04784  -0.17323
Si9      0.53010   0.54701   0.17515
Si10      0.44794   0.45870   0.67427
Si11      0.51131   0.54344   0.32674
Si12      0.52067   0.45930  -0.17437
Si13      0.03427  -0.07438   0.14866
Si14     -0.04423   0.07825   0.64666
Si15     -0.03617  -0.07491   0.35313
Si16      0.05940   0.07277  -0.14945
Si17      0.54827   0.42918   0.14888
Si18      0.46568   0.57445   0.64820
Si19      0.49241   0.42523   0.35483
Si20      0.53600   0.57523  -0.14516
Si21      0.49427   0.35145   0.21247
Si22     -0.51796  -0.35234   0.71191
Si23     -0.52309   0.34758   0.28994
Si24      0.52234  -0.34619  -0.20878
Si25      1.01836   0.84481   0.21121
Si26     -0.03258   0.15835   0.71039
Si27     -0.02270   0.84996   0.29025
Si28      1.02369   0.15381  -0.21161
O1      0.01556   0.03889   0.21642
O2     -0.01393   0.03247   0.28501
O3      0.50384   0.10641   0.25352
O4      0.50833   0.88849   0.74788
O5     -0.01285   0.96262   0.71651
O6      0.03445   0.95622   0.78483
O7      0.52548   0.53763   0.21672
O8      0.51487   0.53658   0.28496
O9      1.01916   0.60836   0.25115
O10      0.47531   0.47265   0.71528
O11      1.00182   0.40262   0.75025
O12      0.51357   0.47310   0.78456
O13      0.02983  -0.01242   0.15729
O14      0.52359   0.07490   0.16322
O15     -0.03859   0.01713   0.65761
O16      0.46793  -0.07018   0.66271
O17     -0.03276  -0.01201   0.34849
O18      0.46731   0.07307   0.33623
O19      0.05887   0.01071  -0.15725
O20      0.55976  -0.07693  -0.16118
O21      0.53881   0.49156   0.15518
O22      1.03090   0.57798   0.16523
O23      0.45873   0.51133   0.65102
O24      0.94894   0.42678   0.66583
O25      0.50227   0.48691   0.34548
O26      1.01093   0.57359   0.33772
O27      0.52784   0.51286  -0.15211
O28      1.02013   0.42763  -0.16572
O29      0.53434  -0.08830   0.12790
O30      0.02502  -0.10592   0.18493
O31     -0.03663   0.11171   0.68222
O32      0.45604   0.09074   0.62558
O33      0.46499  -0.09219   0.37269
O34     -0.03118  -0.09848   0.31424
O35      0.55886   0.08740  -0.12894
O36      0.04194   0.10367  -0.18606
O37      0.51936   0.40072   0.18626
O38      1.04672   0.41320   0.12877
O39      0.96637   0.59309   0.62918
O40      0.47546   0.59619   0.68767
O41      0.99217   0.41167   0.37568
O42      0.48369   0.39366   0.31856
O43      1.03542   0.59047  -0.12476
O44      0.52819   0.60471  -0.18226
O45      0.99481   0.31850   0.20639
O46      0.48403   0.37379   0.25174
O47     -0.01787  -0.32004   0.70433
O48     -0.49886  -0.36975   0.75225
O49     -0.02303   0.31396   0.29438
O50      1.02207  -0.31305  -0.20304
O51      1.51864   0.81175   0.20565
O52      0.99791   0.86839   0.25014
O53      0.46732   0.19192   0.70595
O54     -0.00249   0.13274   0.74879
O55      0.47812   0.81747   0.29763
O56      1.52301   0.18656  -0.20512
#
#_symmetry_space_group_name_H-M  C 2 2 21                            
#_symmetry_Int_Tables_number   20
#
#   Starting Wyckoff positions:
#
#    1     4b     0.0000   0.0869   0.2500
#    2     8l     0.0525   0.0560   0.1631
#    3     8l     0.0538  -0.0883   0.1407
#    4     8l     0.5253   0.3476   0.2089
#
#   Coordination Sequence :
#
# PCOD 200006 SiO2            R =  0.0176   20
#   1
#  28
#    4   8  12  14   0   0   0   0   0   0
#
#_framework_density   10.55
#
