data_PCOD 460009
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD 460009 R =  0.0180
Probable space group: I M A 2                             
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   28
_cell_length_a         30.3664
_cell_length_b          2.7123
_cell_length_c         37.8099
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3114.09
_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      0.38230   0.89870   0.97974
Si2      0.61631   0.12875   0.98137
Si3      0.88151   0.11306   0.98014
Si4      0.11885   0.89179   0.97997
Si5      0.87833   0.40543   0.47829
Si6      0.11882   0.59480   0.47947
Si7      0.38299   0.62477   0.48222
Si8      0.61404   0.39532   0.48010
Si9      0.29739   0.86160   1.02881
Si10     -0.29768  -0.87009   1.03066
Si11      0.79534  -0.86677   1.02736
Si12      0.20328   0.85509   1.03001
Si13      0.79157   1.37710   1.52327
Si14      0.20295  -0.37044   1.52944
Si15      0.29710  -0.36280   1.53110
Si16     -0.30070   1.35672   1.53027
Si17      0.84768   0.41412   0.39907
Si18     -0.84435  -0.37528   0.40104
Si19      1.34657  -0.37593   0.40334
Si20     -0.34501   0.40079   0.40157
Si21      1.34547   0.89861   0.90180
Si22     -0.34582   0.14783   0.90215
Si23      0.84646   0.10752   0.90162
Si24     -0.84598   0.87882   0.90033
Si25      0.25086  -0.34626   0.43467
Si26     -0.24845   0.41219   0.43018
Si27     -0.25023   0.13545   0.93211
Si28      0.24814   0.89524   0.93261
O1      0.33498   0.88000   0.99885
O2      0.37396   0.89808   0.93767
O3      0.40784   1.39787   0.99041
O4      0.63018   0.13866   0.94019
O5      0.58966   0.62939   0.98982
O6      0.66123   0.13162   1.00396
O7      0.87406   0.11058   0.93795
O8      0.90659   0.61276   0.99117
O9      0.83321   0.12502   0.99765
O10      0.16497   0.87503   1.00083
O11      0.12973   0.88468   0.93822
O12      0.09248   1.39056   0.98927
O13      0.87478   0.41041   0.43575
O14      0.90234   0.90549   0.49085
O15      0.82844   0.39081   0.49274
O16      0.09297   1.09519   0.48964
O17      0.12802   0.60821   0.43741
O18      0.16571   0.61052   0.49923
O19      0.40898   1.12494   0.49218
O20      0.37294   0.62344   0.44032
O21      0.33639   0.62813   0.50260
O22      0.63148   0.39761   0.43979
O23      0.58648   0.89454   0.48662
O24      0.65636   0.37458   0.50560
O25      0.24995   0.86129   1.00971
O26      0.30155   1.36254   1.05169
O27     -0.25230  -0.86715   1.00825
O28     -0.29887  -0.36909   1.05384
O29      0.79961  -0.36704   1.05020
O30      0.20031   1.35536   1.05300
O31      0.74304   1.36833   1.50586
O32      0.79677   1.87658   1.54601
O33      0.25050  -0.36997   1.51045
O34      0.19845   0.12878   1.55225
O35      0.30007   0.13733   1.55402
O36     -0.30047   1.85793   1.55351
O37      0.79539   0.41470   0.40617
O38      0.85990   0.91430   0.37807
O39     -0.79245  -0.36122   0.40995
O40     -0.85554   0.12429   0.37968
O41      1.29426  -0.36192   0.41031
O42      1.35911   0.12435   0.38248
O43     -0.29211   0.40722   0.40597
O44     -0.35876   0.90061   0.38118
O45      1.29362   0.89775   0.91076
O46      1.35644   1.39859   0.88035
O47     -0.29309   0.14308   0.90696
O48     -0.35959   0.64721   0.88173
O49      0.79422   0.12321   0.90888
O50      0.85829   0.60809   0.88046
O51     -0.79335   0.88731   0.90601
O52     -0.85913   1.37921   0.87977
O53      0.25035   0.15299   0.45782
O54     -0.24852   0.91213   0.45339
O55     -0.25117   0.63475   0.95521
O56      0.24589   1.39533   0.95577
#
#_symmetry_space_group_name_H-M  I M A 2                             
#_symmetry_Int_Tables_number   46
#
#   Starting Wyckoff positions:
#
#    1     8c     0.3951   0.8914   0.9884
#    2     8c     0.3005   0.8580   1.0306
#    3     8c     0.8461   0.3869   0.3977
#    4     4b     0.2500  -0.3820   0.4286
#
#   Coordination Sequence :
#
# PCOD 460009 SiO2            R =  0.0180   46
#   1
#  28
#    4   8  12  14   0   0   0   0   0   0
#
#_framework_density    8.99
#
