data_PCOD3103126
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3103126 R =  0.0133
Probable space group: P B C M
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   28
_cell_length_a         26.1776
_cell_length_b          7.5756
_cell_length_c         16.1172
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3196.20
_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      0.44164   0.45527   0.90694
Si2      0.55581   0.53323   0.40428
Si3      0.55461   0.96412   0.60640
Si4      0.44714   0.03615   0.11161
Si5      0.55379   0.53353   0.10702
Si6      0.43952   0.45871   0.61002
Si7      0.44763   0.02856   0.40629
Si8      0.55269   0.95161   0.90296
Si9      0.37877   0.23841   0.01137
Si10     -0.37957  -0.25736   0.50712
Si11     -0.38091  -0.25167   0.00657
Si12      0.37838   0.22461   0.50953
Si13     -0.37890  -0.18780   0.17301
Si14      0.37447   0.17725   0.67740
Si15      0.37879   0.31096   0.34691
Si16     -0.37862   0.67133  -0.15588
Si17      0.37534   0.17368  -0.15545
Si18     -0.37622  -0.18412   0.34300
Si19     -0.38002   0.68386   0.67218
Si20      0.37919   0.31466   0.17515
Si21     -0.44874   0.13812   0.34963
Si22      0.44794  -0.15733   0.84936
Si23      0.45002   0.63738   0.16265
Si24     -0.45339   0.35610  -0.33816
Si25      0.44953  -0.15121  -0.33680
Si26     -0.44904   0.14000   0.16292
Si27     -0.45238   0.35026   0.85180
Si28      0.45065   0.63260   0.35029
O1      0.50239   0.42461   0.91016
O2      0.42780   0.65491   0.88224
O3      0.41461   0.40853   0.99421
O4      0.41880   0.32416   0.83731
O5      0.49511   0.56345   0.41156
O6      0.56813   0.33489   0.37567
O7      0.58450   0.57240   0.49106
O8      0.57768   0.67415   0.33800
O9      0.57830   0.83991   0.67856
O10      0.58253   0.90853   0.52099
O11      0.49417   0.92462   0.60431
O12      0.56584   1.16703   0.62886
O13      0.41728   0.07427   0.02567
O14      0.42599   0.17593   0.17897
O15      0.50773   0.06494   0.10083
O16      0.43489  -0.16268   0.14040
O17      0.49299   0.56310   0.10001
O18      0.56730   0.33560   0.13516
O19      0.58264   0.57849   0.02127
O20      0.57526   0.67005   0.17593
O21      0.41235   0.40039   0.52430
O22      0.41557   0.33618   0.68221
O23      0.42832   0.66417   0.62756
O24      0.49996   0.42367   0.60519
O25      0.41827   0.06557   0.49282
O26      0.42485   0.16987   0.34056
O27      0.50814   0.06425   0.41175
O28      0.43568  -0.16865   0.37525
O29      0.49234   0.91572   0.90963
O30      0.56379   1.15386   0.87899
O31      0.57666   0.81764   0.83585
O32      0.58122   0.91293   0.99007
O33      0.34432   0.20484  -0.07011
O34      0.34548   0.26540   0.09444
O35     -0.34444  -0.22683   0.42623
O36     -0.34596  -0.27968   0.59042
O37     -0.34691  -0.22529   0.08916
O38     -0.34568  -0.28146  -0.07440
O39      0.34368   0.19555   0.59091
O40      0.34499   0.25681   0.42683
O41     -0.34539  -0.19907   0.25669
O42     -0.40048   0.01004   0.16295
O43      0.34114   0.18177   0.76134
O44      0.40425  -0.00850   0.67062
O45      0.34757   0.30473   0.26087
O46      0.40170   0.50612   0.35982
O47     -0.34783   0.67542  -0.24255
O48     -0.40377   0.47972  -0.14305
O49      0.40150  -0.01829  -0.15204
O50     -0.39933   0.01191   0.35210
O51     -0.40728   0.49640   0.65740
O52      0.40039   0.51184   0.16094
O53     -0.47105   0.14494   0.25644
O54      0.47018  -0.17994   0.75666
O55      0.47182   0.63160   0.25625
O56     -0.47187   0.34129  -0.24305
#
#_symmetry_space_group_name_H-M  P B C M
#_symmetry_Int_Tables_number   57
#
#   Coordination Sequence :
#
# PCOD3103126 SiO2            R =  0.0133   57
#   4
#   8  4  8  8
#    4  10  18  26  33  41  50  55  64  72
#    4   8  20  28  34  44  48  58  64  72
#    4   9  18  29  34  42  52  56  64  73
#    4  11  18  24  37  43  46  59  64  70
#
#_framework_density    8.76
#