data_PCOD3002531
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3002531 R =  0.0189
Probable space group: P M C 21
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   12
_cell_length_a         28.7643
_cell_length_b          5.0467
_cell_length_c          9.3146
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1352.15
_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      0.49900   0.38929   0.29935
Si2      0.50040   0.63361   0.80519
Si3      0.50070  -0.21349   0.53008
Si4      0.49842   0.23235   1.03186
Si5      0.39701   0.27675   0.35485
Si6     -0.39888  -0.25694   0.85882
Si7      0.39886  -0.26786   0.85364
Si8     -0.40172   0.27958   0.35538
Si9      0.39791   0.19199   0.03392
Si10     -0.40106  -0.18101   0.53912
Si11      0.39747  -0.18876   0.53321
Si12     -0.39922   0.20696   0.03953
O1      0.45272   0.23813   0.34991
O2      0.54400   0.20903   0.33084
O3      0.50615   0.67537   0.37038
O4      0.49474   0.48641   0.13516
O5      0.50018   0.33929   0.87074
O6      0.50165   0.53959   0.63946
O7      0.45385   0.79490   0.84318
O8      0.54581   0.80054   0.84879
O9      0.45041  -0.08261   0.54868
O10      0.54766  -0.05594   0.56565
O11      0.45028   0.07853   1.05328
O12      0.54812   0.10122   1.06395
O13      0.37789   0.25227   0.19240
O14      0.37228   0.06245   0.45883
O15      0.39018   0.56580   0.42506
O16     -0.37961  -0.24150   0.69606
O17     -0.37425  -0.04236   0.96228
O18     -0.39509  -0.54746   0.93042
O19      0.37859  -0.25905   0.69184
O20      0.37256  -0.05066   0.95171
O21      0.39488  -0.55354   0.93048
O22     -0.37607   0.05819   0.45289
O23     -0.37924   0.28151   0.19615
O24     -0.40003   0.56104   0.43746
#
#_symmetry_space_group_name_H-M  P M C 21
#_symmetry_Int_Tables_number   26
#
#   Coordination Sequence :
#
# PCOD3002531 SiO2            R =  0.0189   26
#   2
#   4  8
#    4   8  15  24  33  42  51  60   0   0
#    4  10  18  27  36  45  54  63   0   0
#
#_framework_density    8.87
#
