data_PCOD3004748
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3004748 R =  0.0163
Probable space group: P C C A
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   24
_cell_length_a         10.7581
_cell_length_b         25.0617
_cell_length_c         14.0455
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3786.88
_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     -0.00264   0.47037   0.25181
Si2      0.49704   0.52740   0.24478
Si3     -0.00927   0.52907   0.74940
Si4      0.48993   0.46228   0.74526
Si5      0.24870   0.49806   0.29198
Si6     -0.24862   0.50060   0.20348
Si7     -0.26210   0.49648  -0.30229
Si8      0.24366   0.49669   0.79473
Si9     -0.25620   0.55364  -0.48385
Si10      0.75162  -0.56481  -0.47954
Si11      0.25490   0.56084   0.96918
Si12      0.25278  -0.55736   0.97989
Si13      0.25175  -0.56252   0.46933
Si14      0.24684   0.55614   0.47369
Si15     -0.24544  -0.55944   0.02376
Si16      0.75479   0.55915   0.02344
Si17      0.50254   0.55933   0.03391
Si18     -0.00190  -0.55904   0.04268
Si19     -0.50608   0.55612   0.45444
Si20      1.00478  -0.56402   0.46155
Si21     -0.50127  -0.56167  -0.04315
Si22      1.00175   0.56095  -0.03980
Si23      0.50318  -0.56453   0.53381
Si24     -0.00431   0.55661   0.53969
O1      0.12178   0.50445   0.23247
O2     -0.12596   0.50584   0.26848
O3     -0.02263   0.43601   0.15618
O4      0.01624   0.43574   0.34710
O5      0.37315   0.49209   0.22959
O6      0.51172   0.56145   0.14830
O7      0.62325   0.49420   0.26191
O8      0.47576   0.56117   0.34083
O9      0.11316   0.49236   0.73907
O10     -0.01749   0.56380   0.65315
O11     -0.13710   0.49599   0.76085
O12      0.00564   0.56358   0.84535
O13      0.36505   0.49649   0.72817
O14      0.51012   0.42933   0.64804
O15      0.61108   0.49951   0.75783
O16      0.48053   0.42973   0.84389
O17      0.25449   0.54988   0.35966
O18      0.24099   0.44462   0.35575
O19     -0.25229   0.55325   0.13781
O20     -0.23998   0.44780   0.13802
O21     -0.26014   0.54866  -0.36947
O22     -0.25661   0.44306  -0.36582
O23      0.24895   0.55120   0.85573
O24      0.25011   0.44615   0.86523
O25     -0.37742   0.58561  -0.51873
O26     -0.12641   0.58273  -0.50922
O27     -0.25244   0.49408  -0.52699
O28      0.87836  -0.59448  -0.50892
O29      0.62424  -0.59418  -0.50996
O30      0.25613   0.50300   1.01992
O31      0.38016   0.59124   0.99929
O32      0.12665   0.58984   0.99853
O33      0.12855  -0.58685   1.01605
O34      0.37953  -0.58768   1.00936
O35      0.37746  -0.59327   0.49762
O36      0.12730  -0.59367   0.50240
O37      0.24815  -0.50379   0.51664
O38      0.12141   0.58611   0.50563
O39      0.37557   0.58446   0.50459
O40     -0.11832  -0.58912  -0.00695
O41     -0.37208  -0.58831  -0.00903
O42     -0.24100  -0.50017  -0.02122
O43      0.62655   0.58756  -0.00808
O44      0.87788   0.59167  -0.00549
O45      0.49937   0.50014  -0.01087
O46     -0.00091  -0.49850   0.00361
O47     -0.49884   0.49579   0.49428
O48      1.00168  -0.50489   0.50643
#
#_symmetry_space_group_name_H-M  P C C A
#_symmetry_Int_Tables_number   54
#
#   Coordination Sequence :
#
# PCOD3004748 SiO2            R =  0.0163   54
#   4
#   4  4  8  8
#    4  10  16  18  26  30  34  40  46   0
#    4   8  16  18  24  34  30  42  48   0
#    4   7  13  21  23  29  36  37  46   0
#    4   9  14  21  24  30  35  40  44   0
#
#_framework_density    6.34
#
