data_PCOD3109046
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3109046 R =  0.0113
Probable space group: C M
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   24
_cell_length_a          9.6793
_cell_length_b         10.4242
_cell_length_c         26.8518
_cell_angle_alpha     90.000
_cell_angle_beta     111.980
_cell_angle_gamma     90.000
_cell_volume          2512.39
_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      0.27687   0.14444   0.49329
Si2      0.27331   0.85619   0.49481
Si3      0.77596   0.63142   0.49792
Si4      0.78818   0.34859   0.49913
Si5      0.12136   0.36905   0.50880
Si6      0.11105  -0.36865   0.50726
Si7      0.60786   0.85613   0.50581
Si8      0.61190   0.12398   0.50211
Si9      0.60549   0.21746   0.40130
Si10      0.60509  -0.22914   0.40196
Si11      1.10724   0.70407   0.40241
Si12      1.09746   0.29883   0.40125
Si13      0.26679   0.28190   0.32772
Si14      0.26863  -0.28189   0.32706
Si15      0.77441   0.77047   0.32839
Si16      0.76270   0.24040   0.32448
Si17      0.24180  -0.37120   0.22155
Si18      0.24599   0.36593   0.22040
Si19      0.75089   0.14209   0.22151
Si20      0.74881   0.86997   0.22407
Si21      0.57460   0.64530   0.22939
Si22      0.57277  -0.63282   0.22490
Si23      1.08306   1.14036   0.23160
Si24      1.07597  -0.14565   0.22962
O1      0.23756   0.25193   0.52935
O2      0.44669   0.16281   0.49785
O3      0.16625   0.16631   0.43154
O4      0.25689   0.00136   0.51219
O5      0.44403   0.82436   0.50476
O6      0.17002   0.83819   0.43211
O7      0.21732   0.75453   0.52881
O8      0.76555   0.48933   0.51999
O9      0.72097   0.73865   0.52985
O10      0.66962   0.64095   0.43509
O11      0.94541   0.66065   0.50485
O12      0.72844   0.23857   0.52843
O13      0.68808   0.34097   0.43563
O14      0.96105   0.32742   0.50852
O15      0.10785   0.40032   0.44801
O16      0.17363   0.50201   0.54159
O17      0.10580  -0.39768   0.44740
O18      0.66298   0.99199   0.53532
O19      0.59636   0.87675   0.44458
O20      0.61245   0.10287   0.44264
O21      0.43295   0.24331   0.36619
O22      0.68575   0.17259   0.36148
O23      0.44067  -0.24264   0.35681
O24      0.71215  -0.17810   0.37254
O25      0.94046   0.71717   0.35890
O26      1.21032   0.65752   0.37071
O27      0.92501   0.28966   0.36258
O28      1.18846   0.34568   0.36511
O29      0.27940   0.38185   0.28363
O30      0.17229   0.16062   0.29524
O31      0.26390  -0.39097   0.28377
O32      0.16591  -0.16644   0.29332
O33      0.78008   0.88176   0.28740
O34      0.66944   0.65738   0.29302
O35      0.78281   0.13213   0.28480
O36      0.65957   0.35353   0.28892
O37      0.13137  -0.25136   0.19743
O38      0.17126  -0.50234   0.19075
O39      0.39941  -0.34147   0.21702
O40      0.39783   0.34365   0.21036
O41      0.13976   0.24321   0.19862
O42      0.63632   0.25827   0.19622
O43      0.68626   0.00512   0.19537
O44      0.90810   0.16688   0.21576
O45      0.62695   0.75872   0.19944
O46      0.90100   0.83491   0.21602
O47      0.60260   0.50855   0.20681
O48      1.10758   0.99731   0.21402
#
#_symmetry_space_group_name_H-M  C M
#_symmetry_Int_Tables_number    8
#
#   Coordination Sequence :
#
# PCOD3109046 SiO2            R =  0.0113    8
#   3
#   8  8  8
#    4   9  18  29  36  42  51  60  66  75
#    4   9  18  29  35  43  52  58  67  76
#    4  10  16  26  33  43  48  59  65  74
#
#_framework_density    9.55
#
