data_PCOD3003930
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3003930 R =  0.0181
Probable space group: C M M M
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   26
_cell_length_a         19.0200
_cell_length_b          7.4145
_cell_length_c         26.7059
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3766.16
_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      0.49712  -0.00574   0.00095
Si2     -0.00091   0.48670  -0.00073
Si3      0.42668   0.03855   0.08962
Si4     -0.42769  -0.03430   0.08867
Si5     -0.42943   0.03555  -0.08721
Si6      0.42503  -0.04630  -0.08720
Si7      0.92653   0.46628   0.08840
Si8      0.07297   0.52794   0.08833
Si9      0.06892   0.45369  -0.08843
Si10      0.92799   0.54299  -0.08804
Si11     -0.33088  -0.27730  -0.05272
Si12      0.33079   0.27232  -0.05227
Si13      0.33221  -0.28204   0.05358
Si14     -0.33213   0.28348   0.05432
Si15      0.32727   0.30394   0.06429
Si16     -0.32450  -0.29963   0.06472
Si17     -0.32687   0.30695  -0.06359
Si18      0.32297  -0.31230  -0.06344
Si19      0.17047   0.18977  -0.06240
Si20      0.82750   0.81102  -0.06333
Si21      0.82665   0.20200   0.06410
Si22      0.17283   0.79875   0.06448
Si23      0.83422   0.78796   0.05350
Si24      0.16806   0.21579   0.05436
Si25      0.16399   0.77523  -0.05283
Si26      0.83248   0.22482  -0.05259
O1      0.44893   0.12047   0.03559
O2      0.44744  -0.12876  -0.03330
O3      0.54821  -0.12325   0.03582
O4      0.54594   0.11827  -0.03379
O5      0.05358   0.59937   0.03277
O6      0.04216   0.35661  -0.03743
O7     -0.05307   0.37667   0.03493
O8     -0.04661   0.62203  -0.03448
O9      0.38869  -0.15231   0.08049
O10      0.36972   0.18811   0.10569
O11      0.49962   0.00017   0.11873
O12     -0.39163   0.15922   0.07997
O13     -0.36927  -0.18103   0.10435
O14     -0.38973  -0.15331  -0.07903
O15     -0.37373   0.18944  -0.10235
O16     -0.50191  -0.00907  -0.11633
O17      0.38742   0.14611  -0.08020
O18      0.36792  -0.19569  -0.10360
O19      0.86797   0.32201   0.10528
O20      0.89169   0.66130   0.08060
O21      0.99973   0.49710   0.11764
O22      0.12785   0.68292   0.10472
O23      0.11137   0.33576   0.08443
O24      0.12898   0.31066  -0.10337
O25      0.10552   0.64511  -0.07730
O26     -0.00156   0.49972  -0.11964
O27      0.87201   0.69550  -0.10378
O28      0.88819   0.35381  -0.08062
O29     -0.33889  -0.25108   0.00681
O30     -0.34402  -0.48171  -0.07030
O31     -0.25554  -0.21064  -0.07334
O32      0.34154   0.24385   0.00708
O33      0.25395   0.21020  -0.07070
O34      0.34413   0.47814  -0.06853
O35      0.33770  -0.25416  -0.00613
O36      0.34929  -0.48693   0.06908
O37      0.25542  -0.23147   0.07457
O38     -0.34018   0.25944  -0.00543
O39     -0.25682   0.21466   0.07394
O40     -0.34303   0.48950   0.07148
O41      0.24417   0.28140   0.07302
O42     -0.24173  -0.26809   0.07451
O43     -0.24451   0.27347  -0.07369
O44      0.24018  -0.28561  -0.07301
O45      0.15622   0.24616  -0.00487
O46      0.14874  -0.01903  -0.06859
O47      0.84141   0.75368  -0.00593
O48      0.84996   1.01996  -0.06779
O49      0.83951   0.26067   0.00665
O50      0.85046  -0.00584   0.06883
O51      0.15770   0.74658   0.00696
O52      0.15497   1.00964   0.07075
#
#_symmetry_space_group_name_H-M  C M M M
#_symmetry_Int_Tables_number   65
#
#   Coordination Sequence :
#
# PCOD3003930 SiO2            R =  0.0181   65
#   3
#   2  8 16
#    4   8  16  24  30  32  52  46  50   0
#    4  10  16  26  28  36  47  48  54   0
#    4  10  16  21  31  38  42  50  58   0
#
#_framework_density    6.90
#
