data_PCOD3009099
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3009099 R =  0.0134
Probable space group: P M M M
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   12
_cell_length_a          5.3197
_cell_length_b         15.1588
_cell_length_c         16.2337
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1309.09
_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      0.77799   0.00842   0.05834
Si2      0.27532   0.00775   0.05698
Si3      0.52827   0.15389  -0.01113
Si4      0.52673  -0.14335  -0.00239
Si5      0.50300  -0.30591  -0.09936
Si6      0.52651   0.32071  -0.10494
Si7      0.50202  -0.31268   0.08311
Si8      0.51593   0.32237   0.07718
Si9     -0.00152  -0.39468   0.08891
Si10      0.00952   0.40244   0.08699
Si11      0.00090  -0.39033  -0.10926
Si12      0.01890   0.40593  -0.11106
O1      0.52541   0.01061   0.11322
O2      0.77346   0.09191  -0.00347
O3      0.77123  -0.08076   0.00358
O4      1.02754   0.01053   0.11377
O5      0.28453   0.09071  -0.00533
O6      0.28107  -0.08111   0.00222
O7      0.52848   0.21543  -0.09201
O8      0.52048   0.21650   0.06932
O9      0.52497  -0.20094  -0.08577
O10      0.52077  -0.20694   0.07716
O11      0.50119  -0.35145  -0.00950
O12      0.24126  -0.33494  -0.14155
O13      0.74781  -0.34503  -0.14480
O14      0.53009   0.36428  -0.01389
O15      0.26785   0.35611  -0.14472
O16      0.77471   0.35764  -0.14993
O17      0.24251  -0.34397   0.12479
O18      0.74758  -0.35180   0.12790
O19      0.26057   0.35468   0.12050
O20      0.76467   0.35472   0.12496
O21     -0.00670  -0.38711  -0.01006
O22      0.01121  -0.49635   0.11675
O23      0.00602   0.39860  -0.01208
O24      0.02108  -0.49176  -0.13829
#
#_symmetry_space_group_name_H-M  P M M M
#_symmetry_Int_Tables_number   47
#
#   Coordination Sequence :
#
# PCOD3009099 SiO2            R =  0.0134   47
#   4
#   2  2  4  4
#    4   8  16  20  28  26  34   0   0   0
#    4   7  16  20  25  30  32   0   0   0
#    4   8  14  18  26  27  36   0   0   0
#    4   9  14  18  22  30  36   0   0   0
#
#_framework_density    9.17
