data_PCOD3004760
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3004760 R =  0.0176
Probable space group: P B C M
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   24
_cell_length_a         29.0279
_cell_length_b          9.9300
_cell_length_c         14.3287
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          4130.21
_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      0.45836   0.72915   0.24706
Si2      0.53705   0.26603   0.74277
Si3      0.53634   0.23020   0.24481
Si4      0.45729   0.77010   0.75229
Si5      0.54922   0.54785   0.25050
Si6     -0.55351  -0.54902  -0.26046
Si7     -0.55520   1.04738   0.24337
Si8      0.54897  -0.05118  -0.24925
Si9      0.55828  -0.11827  -0.45110
Si10     -0.56132   0.12170   0.04681
Si11     -0.55894   0.38518   0.94031
Si12      0.55764   0.62356   0.44802
Si13     -0.56326   0.11904   0.44159
Si14      0.55804  -0.11965   0.94833
Si15      0.56002   0.60846   0.04740
Si16     -0.56359   0.37918  -0.45580
Si17     -0.55249  -0.12659  -0.06072
Si18      0.54705   0.13412   0.43100
Si19      0.54604   0.36639   0.55737
Si20     -0.54998   0.62588   0.05799
Si21      0.54903   0.12555   0.05781
Si22     -0.55187  -0.13096   0.56168
Si23     -0.55199   0.64170   0.43693
Si24      0.55125   0.36509  -0.06786
O1      0.50771   0.65616   0.25649
O2      0.45920   0.89046   0.23715
O3      0.43411   0.64378   0.16480
O4      0.42817   0.68635   0.33695
O5      0.56746   0.30659   0.65226
O6      0.53302   0.10499   0.75053
O7      0.56558   0.34008   0.82500
O8      0.48994   0.34991   0.73294
O9      0.53335   0.39175   0.25247
O10      0.56508   0.15432   0.32573
O11      0.56628   0.18943   0.15442
O12      0.48816   0.14993   0.24161
O13      0.43159   0.84586   0.66760
O14      0.50670   0.84355   0.75849
O15      0.45987   0.60899   0.74161
O16      0.42810   0.81438   0.84284
O17      0.57678   0.57947   0.34667
O18      0.57565   0.58624   0.15454
O19     -0.58303  -0.58218  -0.35386
O20     -0.57836  -0.59375  -0.16421
O21     -0.58239   1.08819   0.14861
O22     -0.58234   1.08222   0.33894
O23      0.57504  -0.08925  -0.34558
O24      0.57750  -0.08188  -0.15417
O25      0.57014   0.00882  -0.51674
O26      0.58076  -0.24457  -0.50532
O27      0.50306  -0.13618  -0.44937
O28     -0.57696   0.01087  -0.02919
O29     -0.50608   0.11846   0.05352
O30     -0.57858   0.25866  -0.00153
O31     -0.57703   0.51021   1.00242
O32     -0.50355   0.38231   0.94134
O33      0.56496   0.51210   0.52856
O34      0.50307   0.65084   0.43943
O35     -0.57421  -0.00046   0.51433
O36     -0.50809   0.13472   0.43590
O37     -0.58510   0.24947   0.49197
O38      0.57270  -0.01423   1.02886
O39      0.50268  -0.11875   0.94032
O40      0.57664  -0.25889   0.99231
O41      0.57803   0.48667  -0.01800
O42      0.50460   0.60879   0.04663
O43     -0.57048   0.49622  -0.53238
O44     -0.50900   0.35492  -0.44392
O45     -0.56826  -0.23346   0.01687
O46      0.56726   0.26825   0.47890
O47      0.56850   0.22857  -0.01925
O48     -0.57560  -0.25647   0.50961
#
#_symmetry_space_group_name_H-M  P B C M
#_symmetry_Int_Tables_number   57
#
#   Coordination Sequence :
#
# PCOD3004760 SiO2            R =  0.0176   57
#   4
#   4  4  8  8
#    4  10  18  22  30  36  42  48  56  60
#    4  10  18  24  28  36  42  48  54  62
#    4   9  17  23  30  35  43  48  54  61
#    4   9  15  23  29  35  41  49  54  60
#
#_framework_density    5.81
#
