data_PCOD3010877
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3010877 R =  0.0141
Probable space group: P -6 2 M
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   16
_cell_length_a         10.0583
_cell_length_b         10.0583
_cell_length_c         20.5330
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          1799.02
_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      0.33638   0.67018   0.07464
Si2      0.33156   0.66594   0.91784
Si3      0.66674   0.33245   0.91636
Si4      0.67180   0.33639   0.07313
Si5      0.44970   0.00439   0.07298
Si6      0.00538   0.44520   0.07303
Si7     -0.43460  -0.43618   0.07412
Si8      0.44725  -0.00030  -0.08310
Si9     -0.00199   0.43817  -0.08277
Si10     -0.43788  -0.43943  -0.08080
Si11      0.15999   0.00187  -0.08248
Si12      0.00531   0.15868  -0.08160
Si13     -0.15440  -0.16768  -0.07990
Si14      0.16072   0.00439   0.07310
Si15      0.00838   0.16397   0.07042
Si16     -0.15567  -0.16244   0.07149
O1      0.16015   0.59408   0.09791
O2      0.44119   0.84717   0.09682
O3      0.32939   0.67181  -0.00383
O4      0.41157   0.56646   0.09376
O5      0.15548   0.58675   0.89363
O6      0.43696   0.84156   0.89383
O7      0.40906   0.56393   0.89898
O8      0.66683   0.32966   0.99485
O9      0.59706   0.15628   0.89334
O10      0.84436   0.43944   0.89578
O11      0.56278   0.40694   0.89665
O12      0.59905   0.16048   0.09681
O13      0.84893   0.44193   0.09415
O14      0.56913   0.41112   0.09496
O15      0.43371   0.00236  -0.00503
O16      0.30514   0.00491   0.10671
O17      0.00450   0.42448  -0.00476
O18     -0.00179   0.29802   0.10858
O19     -0.40899  -0.41296  -0.00355
O20     -0.29616  -0.29366   0.11243
O21      0.30318   0.00182  -0.11672
O22     -0.01073   0.29062  -0.11850
O23     -0.29666  -0.30047  -0.11950
O24      0.14922   0.14704  -0.10892
O25      0.00548  -0.15375  -0.10257
O26      0.17959   0.01074  -0.00470
O27     -0.14755  -0.00569  -0.09028
O28      0.03361   0.20454  -0.00577
O29     -0.18145  -0.21232  -0.00390
O30      0.15202   0.15194   0.09793
O31      0.00452  -0.14775   0.09461
O32     -0.14624   0.00096   0.08045
#
#_symmetry_space_group_name_H-M  P -6 2 M
#_symmetry_Int_Tables_number  189
#
#   Coordination Sequence :
#
# PCOD3010877 SiO2            R =  0.0141  189
#   3
#   4  6  6
#    4   9  18  24  30  36  45  51  57  66
#    4   9  16  23  29  37  45  51  57  65
#    4   7  12  19  29  37  43  51  57  61
#
#_framework_density    8.89
#
