data_PCOD3009033
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3009033 R =  0.0108
Probable space group: A M M 2
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   32
_cell_length_a         16.6866
_cell_length_b         12.2910
_cell_length_c         15.5683
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3192.99
_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      0.59638   0.01015   0.33046
Si2      0.40454   0.01119   0.33272
Si3      0.59036   0.49938   0.83836
Si4      0.41708   0.50061   0.83868
Si5      0.40408  -0.21775   0.39840
Si6     -0.40118   0.23305   0.40888
Si7      0.40634   0.23163   0.41050
Si8     -0.40340  -0.21757   0.39843
Si9      0.40921   0.28377   0.90064
Si10     -0.40192   0.71726   0.90203
Si11      0.40647   0.71865   0.90370
Si12     -0.39869   0.28288   0.89994
Si13      0.40194   0.00951   0.14640
Si14     -0.40597   0.00708   0.14287
Si15      0.41700   0.50975   0.63765
Si16     -0.41023   0.50972   0.63663
Si17      0.40922   0.12328   0.75346
Si18     -0.39929  -0.12400   0.74987
Si19      0.40808  -0.12318   0.74971
Si20     -0.39844   0.12331   0.75249
Si21      0.40655   0.62465   1.25172
Si22     -0.40013   0.37451   1.25180
Si23      0.40704   0.37313   1.25259
Si24     -0.40058   0.62615   1.25117
Si25     -0.40062   0.23644   0.08969
Si26      0.40443  -0.22560   0.09436
Si27     -0.40321  -0.22776   0.09243
Si28      0.40671   0.23562   0.08946
Si29     -0.40164   0.73708   0.58945
Si30      0.40759   0.28004   0.60189
Si31     -0.39987   0.27914   0.60016
Si32      0.40542   0.73753   0.59002
O1      0.50044   0.00673   0.32689
O2      0.62783   0.11089   0.38683
O3      0.63179  -0.10316   0.36486
O4      0.63316   0.02661   0.23615
O5      0.36884  -0.10375   0.36394
O6      0.37561   0.10925   0.39325
O7      0.36558   0.03393   0.24003
O8      0.50383   0.49190   0.88483
O9      0.63855   0.60320   0.87430
O10      0.63949   0.38877   0.85409
O11      0.57371   0.52049   0.73831
O12      0.36972   0.38837   0.85361
O13      0.36815   0.60310   0.87637
O14      0.43416   0.52425   0.73901
O15      0.50034  -0.21426   0.39671
O16      0.37429  -0.22792   0.49623
O17      0.37442  -0.31553   0.33736
O18     -0.36822   0.25363   0.50471
O19     -0.49736   0.23447   0.40989
O20     -0.36791   0.31868   0.33919
O21      0.37515   0.25799   0.50621
O22      0.37422   0.31535   0.33893
O23     -0.37147  -0.22668   0.49572
O24     -0.37089  -0.31401   0.33763
O25      0.38504   0.17926   0.84367
O26      0.50524   0.29686   0.89914
O27      0.37771   0.28381   0.99830
O28     -0.49774   0.70537   0.90409
O29     -0.37548   0.81102   0.83580
O30     -0.37137   0.73927   0.99837
O31      0.38218   0.81134   0.83518
O32      0.37429   0.74297   0.99926
O33     -0.37371   0.17912   0.84272
O34     -0.36927   0.28202   0.99838
O35      0.36900  -0.10600   0.11377
O36      0.37417   0.11183   0.08904
O37      0.49815   0.00645   0.14977
O38     -0.37400   0.11020   0.08921
O39     -0.37032  -0.10589   0.10829
O40      0.36964   0.39722   0.62584
O41      0.37034   0.61640   0.60475
O42      0.50303   0.50227   0.59095
O43     -0.36499   0.61696   0.60365
O44     -0.36255   0.39761   0.62151
O45      0.37536   0.00040   0.75125
O46      0.37804   0.19180   0.67164
O47      0.50531   0.11766   0.74800
O48     -0.36628  -0.00065   0.75094
O49     -0.49575  -0.11958   0.74456
O50     -0.36813  -0.18445   0.66405
O51      0.37398  -0.18277   0.66488
O52     -0.36878   0.19267   0.67052
O53      0.37931   0.49880   1.24906
O54      0.50301   0.62831   1.25286
O55      0.37661   0.68900   1.16713
O56     -0.37300   0.50049   1.24758
O57     -0.49656   0.36989   1.25277
O58     -0.36836   0.30628   1.16994
O59      0.37537   0.30645   1.16970
O60     -0.37176   0.69174   1.16675
O61     -0.49700   0.23680   0.09112
O62      0.50070  -0.22218   0.09336
O63     -0.49809   0.73335   0.59181
O64      0.50393   0.28695   0.60176
#
#_symmetry_space_group_name_H-M  A M M 2
#_symmetry_Int_Tables_number   38
#
#   Coordination Sequence :
#
# PCOD3009033 SiO2            R =  0.0108   38
#   3
#   8 16  8
#    4   9  14  22  30  33  39  47  55  62
#    4   9  16  22  28  35  40  47  54  59
#    4   9  16  23  27  33  43  48  51  59
#
#_framework_density   10.02
#
