data_PCOD3102266
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3102266 R =  0.0169
Probable space group: P C A 21
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   12
_cell_length_a          9.7230
_cell_length_b         26.2940
_cell_length_c          5.4230
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1386.43
_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      0.30548   0.03646   0.35754
Si2      0.70977   0.97337   0.85544
Si3      0.80599   0.97131   0.35554
Si4      0.20959   0.03650   0.86091
Si5      0.11480  -0.05967   0.35137
Si6     -0.09590   0.06817   0.85401
Si7      0.61075   0.06392   0.35133
Si8      0.40724  -0.05557   0.85639
Si9      0.27090  -0.13139   0.60457
Si10     -0.24436   0.13986   1.10361
Si11      0.74717   0.14005   0.60275
Si12      0.26987  -0.13185   1.10596
O1      0.26294   0.06402   0.61186
O2      0.24102  -0.01992   0.35426
O3      0.47093   0.03182   0.34654
O4      0.25534   0.06522   0.11083
O5      0.75624   0.94423   0.60720
O6      0.54443   0.97816   0.85477
O7      0.75298   0.94438   1.10601
O8      0.77569   1.02947   0.86084
O9      0.74608   1.02854   0.35843
O10      0.97164   0.97055   0.35168
O11      0.04414   0.03596   0.84924
O12      0.27157  -0.02037   0.86304
O13      0.13376  -0.09648   0.58807
O14      0.13342  -0.09664   0.11561
O15     -0.10696   0.10526   1.09069
O16     -0.11718   0.10436   0.61642
O17      0.61768   0.10162   0.58710
O18      0.62650   0.10101   0.11513
O19      0.39884  -0.09203   0.61654
O20      0.39967  -0.09336   1.09140
O21      0.26730  -0.16439   0.85450
O22      0.28078  -0.16471   0.35563
O23     -0.25876   0.17264   0.85418
O24     -0.24485   0.17315   1.35316
#
#_symmetry_space_group_name_H-M  P C A 21
#_symmetry_Int_Tables_number   29
#
#   Coordination Sequence :
#
# PCOD3102266 SiO2            R =  0.0169   29
#   3
#   4  4  4
#    4  12  22  26  36  40  50  56   0   0
#    4  10  20  28  34  42  50  54   0   0
#    4   8  16  26  36  40  50  54   0   0
#
#_framework_density    8.66
#