data_PCOD3001747
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3001747 R =  0.0195
Probable space group: P -4 21 M
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   20
_cell_length_a         11.0543
_cell_length_b         11.0543
_cell_length_c         27.9202
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3411.80
_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      0.00391  -0.00444   0.57425
Si2     -0.00106   0.00144   0.42721
Si3      0.49355   0.49579   0.42388
Si4      0.50751   0.49623   0.57900
Si5     -0.09014  -0.22269   0.47159
Si6      0.08413   0.21940   0.47770
Si7     -0.21600   0.08238  -0.47416
Si8      0.22406  -0.09746  -0.47118
Si9      0.59656   0.28001  -0.47009
Si10      0.41181   0.70786  -0.47362
Si11      0.71300   0.58576   0.47241
Si12      0.27825   0.41189   0.47688
Si13     -0.17499  -0.14855   0.56826
Si14      0.18665   0.13864   0.57215
Si15     -0.14547   0.17927  -0.56784
Si16      0.14595  -0.17882  -0.56869
Si17      0.67424   0.35263  -0.56897
Si18      0.31535   0.64068  -0.56972
Si19      0.64317   0.67936   0.56929
Si20      0.36306   0.31875   0.57345
O1     -0.08913  -0.08139   0.60667
O2      0.09385   0.07191   0.60818
O3     -0.07541   0.08724   0.54203
O4      0.08357  -0.10193   0.54501
O5     -0.09681  -0.08220   0.45548
O6      0.09109   0.08056   0.45938
O7     -0.07504   0.09500   0.39407
O8      0.08146  -0.08631   0.39452
O9      0.57514   0.59187   0.45328
O10      0.41531   0.40406   0.45641
O11      0.58447   0.41421   0.39249
O12      0.39881   0.57068   0.39166
O13      0.57956   0.59589   0.60967
O14      0.42791   0.40686   0.61177
O15      0.60565   0.41713   0.54979
O16      0.41428   0.56917   0.54485
O17     -0.09539  -0.22091   0.52947
O18      0.04354  -0.26443   0.45509
O19     -0.19834  -0.30884   0.45324
O20      0.18892   0.30725   0.45751
O21      0.10329   0.21287   0.53486
O22     -0.05012   0.26041   0.46202
O23     -0.21897   0.09204  -0.53170
O24     -0.29751   0.19009  -0.45246
O25     -0.26110  -0.04970  -0.45739
O26      0.22117  -0.10519  -0.52893
O27      0.30517  -0.20848  -0.45201
O28      0.26686   0.03568  -0.45407
O29      0.59763   0.28556  -0.52787
O30      0.46439   0.23597  -0.45250
O31      0.40080   0.70821  -0.53121
O32      0.54170   0.76090  -0.45686
O33      0.70821   0.59428   0.53009
O34      0.75976   0.45446   0.45516
O35      0.29157   0.39925   0.53427
O36      0.23361   0.54367   0.45930
O37     -0.25924  -0.24066   0.59760
O38      0.27083   0.23144   0.60136
O39     -0.24067   0.25933  -0.59753
O40      0.23570  -0.26374  -0.59928
#
#_symmetry_space_group_name_H-M  P -4 21 M
#_symmetry_Int_Tables_number  113
#
#   Coordination Sequence :
#
# PCOD3001747 SiO2            R =  0.0195  113
#   2
#   4 16
#    4   8  13  24  22  30  40  40  48   0
#    4   9  13  19  27  30  37  44  47   0
#
#_framework_density    5.86
#
