data_PCOD3010207
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3010207 R =  0.0141
Probable space group: P C
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z    8
_cell_length_a         20.0068
_cell_length_b          8.7952
_cell_length_c          5.3510
_cell_angle_alpha     90.000
_cell_angle_beta      96.504
_cell_angle_gamma     90.000
_cell_volume           935.53
_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      0.18063   0.40320   0.69722
Si2      0.17964   0.59357   0.19710
Si3      0.28715   0.17509   0.75837
Si4      0.28736  -0.18235   1.26371
Si5      0.14644  -0.07729   0.21921
Si6      0.14474   0.07681   0.71701
Si7      0.38335  -0.00783   0.55112
Si8      0.38262   0.00002   1.05140
O1      0.16543   0.48675   0.42927
O2      0.25753   0.34508   0.73587
O3      0.13131   0.25731   0.69708
O4      0.16613   0.50998   0.92912
O5      0.13197   0.74205   0.19691
O6      0.25709   0.64877   0.23966
O7      0.22565   0.05578   0.74966
O8      0.33281   0.13613   0.53681
O9      0.33586   0.14991   1.01703
O10      0.33233  -0.14427   1.03866
O11      0.22733  -0.05922   1.25656
O12      0.33734  -0.15930   1.51989
O13      0.11560  -0.00714   0.45982
O14      0.11667   0.00563  -0.03822
O15      0.42774  -0.00960   0.82114
O16      0.42794   0.00329   0.31987
#
#_symmetry_space_group_name_H-M  P C
#_symmetry_Int_Tables_number    7
#
#   Coordination Sequence :
#
# PCOD3010207 SiO2            R =  0.0141    7
#   4
#   2  2  2  2
#    4  10  19  21  26  36  45   0   0   0
#    4   8  14  18  28  28  42   0   0   0
#    4  10  15  23  32  32  37   0   0   0
#    4   8  12  18  28  34  32   0   0   0
#
#_framework_density    8.55
#
