data_PCOD 670009
_publ_section_title
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Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD 670009 R =  0.0143
Probable space group: C M M A                             
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   12
_cell_length_a          8.6471
_cell_length_b          5.3590
_cell_length_c         28.7262
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1331.18
_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      0.16998   0.24551   0.49760
Si2      0.68391   0.25736   0.49779
Si3      0.68390   0.75859   0.49627
Si4      0.16932   0.74432   0.49833
Si5      0.20730   0.23839   0.59937
Si6     -0.16331   0.25739   0.59758
Si7     -0.15831  -0.23984  -0.60242
Si8      0.21180  -0.25676  -0.60283
Si9      0.70819  -0.23961   0.59700
Si10      0.33656  -0.26320   0.59682
Si11      0.34091   0.24532  -0.59989
Si12      0.71265   0.25889  -0.60155
O1      0.06516   0.49481   0.49757
O2      0.26509   0.24202   0.54581
O3      0.06625  -0.00482   0.49765
O4      0.28383   0.24672   0.45346
O5      0.58094   0.50767   0.49686
O6      0.79293   0.25527   0.54306
O7      0.57956   0.00837   0.49605
O8      0.78442   0.26140   0.45044
O9      0.77830   0.76374   0.54476
O10      0.79807   0.75991   0.45216
O11      0.27834   0.73748   0.54352
O12      0.26831   0.74166   0.45075
O13      0.02185   0.24504   0.60235
O14      0.27239  -0.01522   0.62231
O15      0.27739   0.48745   0.62283
O16     -0.23687   0.01383   0.62220
O17     -0.22510   0.51150   0.62134
O18      0.02677  -0.24994  -0.60699
O19     -0.22302   0.01069  -0.62672
O20     -0.23074  -0.48662  -0.62624
O21      0.28238  -0.00574  -0.62536
O22      0.27758  -0.50875  -0.62611
O23      0.52269  -0.25490   0.59616
O24      0.52715   0.25101  -0.59985
#
#_symmetry_space_group_name_H-M  C M M A                             
#_symmetry_Int_Tables_number   67
#
#   Starting Wyckoff positions:
#
#    1     4f     0.2500   0.2500   0.5000
#    2     8n     0.2111   0.2500   0.6170
#
#   Coordination Sequence :
#
# PCOD 670009 SiO2            R =  0.0143   67
#   2
#   4  8
#    4   8  16  24  34  42  52  60   0   0
#    4  10  19  28  37  46  55  64   0   0
#
#_framework_density    9.01
#
