data_PCOD3004082
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3004082 R =  0.0150
Probable space group: P C C A
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   16
_cell_length_a         29.2954
_cell_length_b         10.6049
_cell_length_c          5.3899
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1674.52
_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      0.02456   0.48890  -0.01930
Si2      0.46972   0.49206   0.01424
Si3      0.02608   0.49683   0.48119
Si4      0.46966   0.49228   0.51412
Si5     -0.00692   0.27633   0.24547
Si6      0.50443  -0.29339   0.26258
Si7     -0.00729  -0.29056  -0.25829
Si8      0.50139   0.27276  -0.23765
Si9     -0.05707  -0.05229  -0.27288
Si10      0.55263   0.03613  -0.23979
Si11      0.04468  -0.05378   0.74100
Si12      0.45118   0.03293   0.77434
Si13      0.04459   0.03671   0.24470
Si14      0.45164  -0.05618   0.27608
Si15     -0.05679   0.03806   0.23115
Si16      0.55308  -0.05257   0.26195
O1      0.05545   0.49851   0.22828
O2     -0.00470   0.36042  -0.00406
O3     -0.00833   0.61093  -0.02973
O4      0.05551   0.48741  -0.26725
O5      0.43944   0.48979   0.26390
O6      0.50024   0.36530   0.00043
O7      0.50235   0.61485   0.02333
O8      0.43965   0.49992  -0.23567
O9     -0.00699   0.37458   0.47389
O10     -0.00414   0.62411   0.49401
O11      0.50314   0.61336   0.49958
O12      0.49951   0.36417   0.52286
O13      0.03764   0.18744   0.26021
O14     -0.05194   0.18940   0.24463
O15      0.45915  -0.20682   0.26957
O16      0.54883  -0.20448   0.26033
O17     -0.05222  -0.20371  -0.26286
O18      0.03795  -0.20450  -0.24037
O19      0.54678   0.18739  -0.23953
O20      0.45670   0.18412  -0.23137
O21     -0.08162  -0.00309  -0.02301
O22     -0.00605   0.00581  -0.27398
O23     -0.08298  -0.00994  -0.52314
O24      0.57817  -0.00681   0.01150
O25      0.50214  -0.02560  -0.23386
O26      0.57866  -0.00775  -0.48855
O27      0.07045  -0.01547   0.48759
O28      0.06928  -0.00144   0.98804
O29      0.42567  -0.01409   0.52592
O30      0.42621  -0.01128   1.02589
O31     -0.00623  -0.02284   0.23576
O32      0.50215   0.00560   0.27190
#
#_symmetry_space_group_name_H-M  P C C A
#_symmetry_Int_Tables_number   54
#
#   Coordination Sequence :
#
# PCOD3004082 SiO2            R =  0.0150   54
#   3
#   4  4  8
#    4   8  16  16  22  26  32   0   0   0
#    4   8  14  18  22  26  34   0   0   0
#    4   8  14  17  24  27  30   0   0   0
#
#_framework_density    9.55
#
