data_PCOD3004329
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3004329 R =  0.0130
Probable space group: A B M 2
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   16
_cell_length_a         24.7535
_cell_length_b         10.5707
_cell_length_c          8.9579
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2343.93
_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      0.05964   0.11839   0.13539
Si2      0.94394   0.88809   0.13160
Si3      0.06091   0.38456   0.13737
Si4      0.94557   0.62383   0.13536
Si5      0.06002   0.62237   0.63673
Si6      0.93827   0.39202   0.63952
Si7      0.05822   0.88983   0.63165
Si8      0.93731   0.12293   0.63604
Si9     -0.05764   0.11946   0.28404
Si10      0.06218  -0.11395   0.27859
Si11     -0.05577   0.38973   0.28747
Si12      0.06328   0.61945   0.28364
Si13     -0.05699   0.62322   0.78695
Si14      0.05619   0.38823   0.78903
Si15     -0.05882  -0.10991   0.78263
Si16      0.05491   0.12116   0.78693
O1      0.09136   0.25062   0.15468
O2      0.00425   0.12479   0.22949
O3      0.09398  -0.00072   0.19582
O4      0.04535   0.09663  -0.03802
O5      0.91344   0.75504   0.15684
O6      0.91116   1.00714   0.19816
O7      1.00150   0.87891   0.21499
O8      0.95449   0.91212  -0.04341
O9      0.00569   0.37925   0.23256
O10      0.09404   0.50450   0.20085
O11      0.04628   0.40978  -0.03496
O12      0.91371   0.50242   0.19975
O13      1.00227   0.63031   0.22271
O14      0.95724   0.60184  -0.03977
O15      0.08783   0.75754   0.66910
O16      0.06204   0.59364   0.46045
O17     -0.00199   0.62985   0.69089
O18      0.08908   0.50728   0.72333
O19      0.90854   0.25765   0.66366
O20      0.94189   0.42090   0.46336
O21      0.90795   0.50586   0.72486
O22      0.99860   0.38185   0.70582
O23      0.05969   0.91455   0.45459
O24     -0.00329   0.88302   0.68915
O25      0.08827   1.00495   0.71579
O26      0.94045   0.09159   0.46065
O27      0.90670   0.00810   0.71981
O28      0.99770   0.13011   0.70240
O29     -0.08487   0.25590   0.25443
O30      0.09259  -0.24709   0.25097
O31     -0.08888   0.75529   0.76568
O32      0.08582   0.25419   0.76373
#
#_symmetry_space_group_name_H-M  A B M 2
#_symmetry_Int_Tables_number   39
#
#   Coordination Sequence :
#
# PCOD3004329 SiO2            R =  0.0130   39
#   1
#  16
#    4   9  15  20  25  31  36  41  47  52
#
#_framework_density    6.83
#
