data_PCOD3101817
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3101817 R =  0.0128
Probable space group: P -6 2 C
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   24
_cell_length_a         19.4913
_cell_length_b         19.4913
_cell_length_c          7.1567
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          2354.64
_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      0.82054   0.46496   0.25207
Si2      0.53170   0.35001   0.25604
Si3      0.64989   0.17368   0.25077
Si4      0.46798   0.81850   0.75425
Si5      0.35210   0.52804   0.75528
Si6      0.17641   0.64530   0.76422
Si7      0.67734   0.48216   0.25576
Si8     -0.48009   0.19202   0.24640
Si9     -0.19255  -0.68192   0.25585
Si10      0.48647   0.67529  -0.24571
Si11      0.19226  -0.48702  -0.23304
Si12     -0.67959  -0.19590  -0.24079
Si13      0.09658   0.52809   0.47979
Si14     -0.53179  -0.43864   0.46897
Si15      0.42956  -0.09893   0.47155
Si16      0.08904   0.52378   0.04083
Si17     -0.52971  -0.43617   0.04279
Si18      0.43728  -0.09334   0.03338
Si19      0.52705   0.08787  -0.47499
Si20     -0.43542  -0.52879  -0.46781
Si21     -0.09128   0.43413  -0.46894
Si22      0.53228   0.09383   0.96223
Si23     -0.43706  -0.53005   0.97822
Si24     -0.09748   0.42907   0.96763
O1      0.76993   0.50942   0.25557
O2      0.76319   0.36973   0.26125
O3      0.87952   0.48876   0.42886
O4      0.87182   0.48403   0.06256
O5      0.62674   0.38630   0.25569
O6      0.48997   0.25524   0.25405
O7      0.51237   0.38382   0.44211
O8      0.51038   0.38357   0.07201
O9      0.61542   0.23411   0.25647
O10      0.61024   0.11322   0.42328
O11      0.61828   0.12524   0.05734
O12      0.74472   0.22492   0.26368
O13      0.48538   0.87183   0.56902
O14      0.51202   0.76737   0.75110
O15      0.49069   0.87471   0.93625
O16      0.37274   0.76050   0.76012
O17      0.39053   0.62367   0.75446
O18      0.38414   0.50578   0.57057
O19      0.25732   0.48534   0.76699
O20      0.38799   0.50731   0.93619
O21      0.12693   0.61407   0.57259
O22      0.11787   0.60819   0.94118
O23      0.23506   0.60882   0.77218
O24      0.22768   0.74015   0.77327
O25      0.65192   0.51139   0.44074
O26      0.65030   0.50999   0.07114
O27     -0.50828   0.13995   0.05776
O28     -0.51289   0.13372   0.42504
O29     -0.14297  -0.65768   0.06314
O30     -0.13209  -0.65145   0.43049
O31      0.51443   0.64904  -0.05956
O32      0.51396   0.64667  -0.42818
O33      0.13370  -0.51811  -0.05543
O34      0.14140  -0.51357  -0.42414
O35     -0.64856  -0.13516  -0.06714
O36     -0.65723  -0.14604  -0.43330
O37      0.11219   0.53740   0.25840
O38      0.00318   0.47385   0.51717
O39     -0.54800  -0.42465   0.25585
O40     -0.47671  -0.47806   0.47705
O41      0.42475  -0.11614   0.25116
O42      0.46710  -0.00562   0.50671
O43     -0.00450   0.46769   0.00980
O44     -0.47435  -0.47536   0.03258
O45      0.47834   0.00071   0.00261
O46      0.54272   0.11214  -0.25796
O47     -0.43163  -0.53590  -0.24464
O48     -0.11632   0.42226  -0.25207
#
#_symmetry_space_group_name_H-M  P -6 2 C
#_symmetry_Int_Tables_number  190
#
#   Coordination Sequence :
#
# PCOD3101817 SiO2            R =  0.0128  190
#   2
#  12 12
#    4   8  17  24  36  48  72  74 118 144
#    4   9  15  26  39  47  66  95 113 132
#