data_PCOD3003927
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3003927 R =  0.0192
Probable space group: C M M M
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   26
_cell_length_a          9.8216
_cell_length_b         15.5423
_cell_length_c         17.4199
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2659.16
_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      0.51192   0.00366  -0.00316
Si2     -0.00380   0.48826   0.00112
Si3      0.25451   0.00821  -0.07899
Si4     -0.22938  -0.00876  -0.07997
Si5     -0.24109   0.01175   0.08001
Si6      0.26208  -0.01303   0.07953
Si7      0.74564   0.48416  -0.07519
Si8      0.25149   0.50248  -0.07703
Si9      0.24405   0.48313   0.08514
Si10      0.75120   0.51033   0.08069
Si11      0.33843   0.32265  -0.08973
Si12     -0.32635  -0.33217  -0.08300
Si13     -0.32130   0.32857   0.09248
Si14      0.32875  -0.33354   0.09556
Si15     -0.36251  -0.32572   0.10040
Si16      0.36630   0.32071   0.09319
Si17      0.36546  -0.32851  -0.08785
Si18     -0.35160   0.32290  -0.09028
Si19      0.86717   0.81997  -0.08843
Si20      0.15099   0.17345  -0.09509
Si21      0.14128   0.82266   0.09647
Si22      0.86776   0.17591   0.09197
Si23      0.17958   0.16907   0.08804
Si24      0.83222   0.82711   0.09524
Si25      0.84255   0.17444  -0.09170
Si26      0.17427   0.82445  -0.08742
O1      0.40326   0.04737  -0.06017
O2      0.41119  -0.04662   0.05453
O3      0.61789  -0.04221  -0.06061
O4      0.61270   0.05110   0.05589
O5      0.09717   0.53251  -0.05981
O6      0.09606   0.44528   0.06342
O7     -0.11215   0.43863  -0.05202
O8     -0.10198   0.54620   0.05458
O9      0.17434  -0.00219   0.00153
O10      0.18241   0.08038  -0.13162
O11      0.23758  -0.08555  -0.11698
O12     -0.15317   0.00164   0.00171
O13     -0.21516   0.08301  -0.12191
O14     -0.16575  -0.08795  -0.12749
O15     -0.17264   0.08572   0.13190
O16     -0.23300  -0.08146   0.11973
O17      0.24403   0.07985   0.11917
O18      0.19670  -0.08782   0.13182
O19      0.66072   0.49642   0.00393
O20      0.67350   0.41520  -0.13059
O21      0.74480   0.57947  -0.11110
O22      0.32673   0.49238   0.00495
O23      0.27846   0.41289  -0.12080
O24      0.31720   0.58105  -0.12473
O25      0.31750   0.40870   0.13442
O26      0.26064   0.57684   0.12296
O27      0.74293   0.41806   0.12255
O28      0.68677   0.58331   0.13553
O29      0.33637   0.32494   0.00262
O30      0.24850   0.24748  -0.12853
O31      0.49333   0.30166  -0.11256
O32     -0.34144  -0.33138   0.00885
O33     -0.47882  -0.31865  -0.11513
O34     -0.23498  -0.25453  -0.11663
O35     -0.32174   0.32966  -0.00008
O36     -0.47667   0.30999   0.11657
O37     -0.22593   0.25222   0.12497
O38      0.34383  -0.33298   0.00347
O39      0.48116  -0.31550   0.12666
O40      0.23228  -0.25691   0.12612
O41     -0.26467  -0.24818   0.12801
O42      0.27579   0.24229   0.12512
O43      0.27358  -0.25034  -0.11880
O44     -0.25273   0.25014  -0.12471
O45      0.84577   0.82582   0.00299
O46      1.02171   0.80181  -0.11479
O47      0.17890   0.17010  -0.00418
O48     -0.00404   0.19447  -0.11811
O49      0.16312   0.82578   0.00493
O50     -0.01382   0.81358   0.12489
O51      0.84318   0.17152   0.00083
O52      1.02563   0.18889   0.11397
#
#_symmetry_space_group_name_H-M  C M M M
#_symmetry_Int_Tables_number   65
#
#   Coordination Sequence :
#
# PCOD3003927 SiO2            R =  0.0192   65
#   3
#   2  8 16
#    4   8  16  20  30  36  36  46  54  60
#    4   8  15  22  28  31  43  44  52  57
#    4   9  16  21  28  34  40  46  52  57
#
#_framework_density    9.78
#
