data_PCOD 740002
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD 740002 R =  0.0184
Probable space group: I M M A                             
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   16
_cell_length_a         20.4677
_cell_length_b          2.7101
_cell_length_c         45.5952
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2529.14
_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      0.23872   0.25329   0.24002
Si2      0.76774   0.25933   0.24047
Si3      0.74235   0.72792   0.74067
Si4      0.24322   0.71175   0.76067
Si5      0.11917   0.26036   0.28146
Si6     -0.11952   0.25088   0.28529
Si7     -0.12977  -0.28595  -0.27692
Si8      0.12735  -0.27152  -0.28360
Si9      0.61909  -0.26670   0.77888
Si10      0.37477  -0.25638   0.77681
Si11      0.36955   0.25267   0.22265
Si12      0.63078   0.27275   0.22501
Si13     -0.00275   0.25177   0.23807
Si14      0.00288  -0.28710  -0.24139
Si15      0.49952  -0.24655   0.73632
Si16      0.49703   0.26034   0.26187
O1      0.19256   0.25838   0.26863
O2      0.31533   0.25117   0.24851
O3      0.22455   0.75377   0.22183
O4      0.69066   0.26656   0.24810
O5      0.80896   0.25630   0.27051
O6      0.78377   0.75965   0.22274
O7      0.72823   1.22747   0.72242
O8      0.69470   0.73210   0.76874
O9      0.81842   0.71797   0.74982
O10      0.22858   1.21120   0.77870
O11      0.31939   0.72752   0.75162
O12      0.19854   0.71898   0.73158
O13      0.06590   0.25724   0.25542
O14      0.10969   0.76074   0.30027
O15     -0.06320   0.25106   0.26067
O16     -0.11201   0.75152   0.30427
O17     -0.05603  -0.28557  -0.26473
O18     -0.14120   0.21444  -0.29543
O19      0.07177  -0.27941  -0.25855
O20      0.12001   0.22798  -0.30253
O21      0.57177  -0.25751   0.75054
O22      0.60579   0.23349   0.79722
O23      0.44649  -0.25293   0.76241
O24      0.36635   0.24443   0.79570
O25      0.44096   0.25853   0.23718
O26      0.36033   0.75270   0.20390
O27      0.56545   0.26483   0.24459
O28      0.63371   0.77219   0.20589
O29     -0.00650   0.75240   0.21884
O30     -0.00176   0.21312  -0.22225
O31      0.49077   0.25255   0.71747
O32      0.49132   0.76097   0.28087
#
#_symmetry_space_group_name_H-M  I M M A                             
#_symmetry_Int_Tables_number   74
#
#   Starting Wyckoff positions:
#
#    1     4c     0.2500   0.2500   0.2500
#    2     8i     0.1175   0.2500   0.2872
#    3     4e     0.0000   0.2500   0.2368
#
#   Coordination Sequence :
#
# PCOD 740002 SiO2            R =  0.0184   74
#   1
#  16
#    4   8  12  16   0   0   0   0   0   0
#
#_framework_density    6.33
#
