data_PCOD3102142
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3102142 R =  0.0104
Probable space group: P B C M
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   24
_cell_length_a         27.9131
_cell_length_b          8.7969
_cell_length_c         10.4932
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2576.60
_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      0.02437   0.25778   0.00286
Si2      0.97479   0.76088   0.49813
Si3      0.97500   0.75346  -0.00043
Si4      0.02480   0.25796   0.50047
Si5      0.00447  -0.09835   0.24841
Si6     -0.00487   0.11419  -0.24795
Si7     -0.00647   0.40154   0.25224
Si8      0.00465   0.61065  -0.25478
Si9      0.11390   0.08806   0.01327
Si10     -0.11602  -0.07354   0.50243
Si11     -0.11529   0.59383   0.48834
Si12      0.11608   0.42012  -0.00225
Si13     -0.11594  -0.08081  -0.01127
Si14      0.11620   0.09387   0.49487
Si15      0.11603   0.42358   0.51048
Si16     -0.11617   0.58970   0.00658
Si17      0.09471   0.56847   0.25424
Si18     -0.09587  -0.55502  -0.25434
Si19     -0.09660   1.06888   0.24503
Si20      0.09583  -0.05363  -0.24757
Si21      0.10572  -0.06831   0.25616
Si22     -0.10771   0.08159  -0.25236
Si23     -0.10823   0.43218   0.24633
Si24      0.10778   0.58221  -0.24650
O1     -0.00660   0.21941  -0.12225
O2     -0.00743   0.29580   0.12676
O3      0.05706   0.11116   0.03382
O4      0.05907   0.39985  -0.02458
O5      0.94154   0.61534   0.46744
O6      1.00658   0.79486   0.37340
O7      0.94095   0.90603   0.52357
O8      1.00557   0.72204   0.62311
O9      1.00515   0.71123  -0.12601
O10      0.94035   0.61236   0.03323
O11      1.00681   0.79730   0.12209
O12      0.94091   0.89700  -0.03241
O13     -0.00765   0.29615   0.37791
O14      0.05946   0.11557   0.47154
O15      0.05910   0.40150   0.52988
O16     -0.00568   0.21996   0.62660
O17      0.05252   0.00486   0.25365
O18     -0.04242   0.00805   0.24792
O19      0.04121   0.00441  -0.24776
O20     -0.05370   0.01474  -0.25092
O21      0.04041   0.50812   0.25405
O22     -0.05475   0.50320   0.24751
O23      0.05397   0.51387  -0.25289
O24     -0.04081   0.49830  -0.25693
O25      0.13912   0.25301   0.00861
O26      0.12284   0.00657  -0.12158
O27      0.13347  -0.01446   0.12921
O28     -0.13973  -0.24033   0.49529
O29     -0.12547   0.01236   0.36938
O30     -0.13534   0.02474   0.62117
O31     -0.13534   0.49156   0.37265
O32     -0.12359   0.50811   0.62192
O33      0.12327   0.50969   0.12991
O34      0.13472   0.51949  -0.12119
O35     -0.13565   0.01934  -0.12855
O36     -0.14100  -0.24526  -0.00173
O37     -0.12436   0.00799   0.12056
O38      0.14109   0.25894   0.50116
O39      0.13509  -0.00996   0.37887
O40      0.12390   0.00934   0.62918
O41      0.12396   0.51056   0.37751
O42      0.13566   0.52302   0.62814
O43     -0.13697   0.48811   0.12151
O44     -0.12260   0.50721  -0.12884
O45      0.09802   0.75071   0.25611
O46     -0.10198  -0.73678  -0.25275
O47     -0.10064   1.25124   0.24517
O48      0.10151  -0.23589  -0.24689
#
#_symmetry_space_group_name_H-M  P B C M
#_symmetry_Int_Tables_number   57
#
#   Coordination Sequence :
#
# PCOD3102142 SiO2            R =  0.0104   57
#   5
#   4  4  8  4  4
#    4   8  18  32  38  44  52  70  76  78
#    4  10  21  28  39  46  59  66  73  80
#    4   9  19  34  42  46  59  72  75  80
#    4  10  21  29  40  54  59  63  78  88
#    4  12  22  27  41  52  58  63  77  92
#
#_framework_density    9.31
#
