data_PCOD3004081
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3004081 R =  0.0154
Probable space group: P C C A
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   20
_cell_length_a         24.7276
_cell_length_b         20.5054
_cell_length_c          5.1654
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2619.10
_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      0.10881   0.03861   0.78156
Si2      0.38886   0.96109   0.68605
Si3      0.89075   0.03753   0.78359
Si4      0.60484   0.96054   0.80313
Si5      0.88953   0.95447   0.28211
Si6      0.60612   0.04133   0.30431
Si7      0.10849   0.95626   0.27988
Si8      0.38839   0.04504   0.18629
Si9     -0.00054  -0.04338   0.18226
Si10      0.49786   0.04901   0.19083
Si11     -0.00005   0.04220  -0.31719
Si12      0.49755  -0.03704  -0.30983
Si13      0.22805  -0.07580   0.19520
Si14      0.27059   0.07231   0.18378
Si15     -0.23082  -0.07851   0.27945
Si16      0.72610   0.06936   0.29796
Si17     -0.22821   0.06826  -0.19833
Si18      0.72444  -0.07745  -0.21369
Si19      0.22783   0.07060   0.68393
Si20      0.27160  -0.07695   0.69638
O1      0.16430   0.07811   0.74054
O2      0.10853  -0.02097   0.57871
O3      0.05539   0.08230   0.72289
O4      0.10554   0.01656   1.08027
O5      0.39174   0.98595   0.39049
O6      0.33598   0.91705   0.72948
O7      0.38689   1.02049   0.89008
O8      0.44370   0.92052   0.74151
O9      0.89207  -0.02187   0.58003
O10      0.94428   0.08100   0.73620
O11      0.83498   0.07618   0.73530
O12      0.89038   0.01490   1.08244
O13      0.60506   1.02138   0.60534
O14      0.60227   0.98117   1.10368
O15      0.55121   0.91908   0.73412
O16      0.65993   0.92100   0.75009
O17      0.94464   0.91473   0.22285
O18      0.83353   0.91624   0.23780
O19      0.55383   0.08692   0.24902
O20      0.66238   0.07768   0.24234
O21      0.05377   0.91476   0.23341
O22      0.16349   0.91761   0.22247
O23      0.44213   0.08925   0.22482
O24      0.33357   0.08394   0.24624
O25      0.00125  -0.01694  -0.11116
O26     -0.00154   0.01553   0.38907
O27      0.49963   0.02112  -0.10101
O28      0.49602  -0.01032   0.39698
O29      0.25130  -0.00263   0.17866
O30      0.25527  -0.11439   0.43395
O31      0.24400  -0.11499  -0.06500
O32      0.23816   0.10812   0.41439
O33      0.25854   0.10864  -0.08655
O34     -0.25359  -0.00520   0.29565
O35     -0.26079  -0.11699   0.04747
O36     -0.24693  -0.11444   0.54707
O37      0.75870   0.10563   0.06913
O38      0.73910   0.10400   0.57073
O39     -0.24985  -0.00563  -0.18754
O40      0.24929  -0.00342   0.67839
#
#_symmetry_space_group_name_H-M  P C C A
#_symmetry_Int_Tables_number   54
#
#   Coordination Sequence :
#
# PCOD3004081 SiO2            R =  0.0154   54
#   3
#   8  4  8
#    4  10  14  20  24  28  34  38   0   0
#    4   8  16  20  24  28  32  40   0   0
#    4  10  14  18  24  30  34  38   0   0
#
#_framework_density    7.64
#
