data_PCOD3001662
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3001662 R =  0.0177
Probable space group: P 42 C M
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   32
_cell_length_a         24.6199
_cell_length_b         24.6199
_cell_length_c          5.4257
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3288.72
_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      0.25923   0.51022   0.90616
Si2      0.81256   0.50270   0.89265
Si3      0.49939   0.19911   0.41889
Si4      0.50244   0.75320   0.42518
Si5      0.25989   0.51000   0.39851
Si6      0.81388   0.50146   0.38793
Si7      0.50208   0.75291   0.92141
Si8      0.50120   0.19964   0.91570
Si9      0.22660   0.39191   0.40464
Si10     -0.23488  -0.38049   0.39313
Si11     -0.38159   0.22270   0.89969
Si12      0.38416  -0.22220   0.90541
Si13      0.22328  -0.36959   0.91226
Si14     -0.22527   0.38450   0.89909
Si15     -0.37623  -0.22151   0.41748
Si16      0.38205   0.23323   0.42141
Si17     -0.36157  -0.35078   0.39869
Si18      0.35280   0.35820   0.41537
Si19      0.35069  -0.34836   0.90427
Si20     -0.34938   0.34357   0.89204
Si21     -0.38303   0.22259   0.39867
Si22      0.38591  -0.22120   0.41146
Si23     -0.23623  -0.37931   0.89619
Si24      0.22733   0.39173   0.90516
Si25     -0.37781  -0.22148   0.91777
Si26      0.38348   0.23416   0.91554
Si27     -0.22591   0.38420   0.40403
Si28      0.22666  -0.36848   0.40546
Si29     -0.36318  -0.35073  -0.10419
Si30      0.35384   0.35925  -0.08736
Si31      0.35295  -0.34666   0.40488
Si32     -0.35021   0.34428   0.39271
O1      0.29382   0.50912   0.65322
O2      0.22088   0.45710   0.90920
O3      0.22327   0.56484   0.91665
O4      0.29643   0.50833   1.15165
O5      0.84772   0.50327   0.64139
O6      0.77394   0.44993   0.89331
O7      0.84958   0.49964   1.13895
O8      0.77512   0.55619   0.90604
O9      0.50079   0.16352   0.66799
O10      0.44731   0.23883   0.42850
O11      0.55310   0.23676   0.40884
O12      0.49881   0.16465   0.16592
O13      0.50164   0.71680   0.67269
O14      0.45015   0.79253   0.42326
O15      0.50014   0.71824   0.17380
O16      0.55865   0.78692   0.42034
O17      0.22081   0.45732   0.39792
O18      0.22594   0.56605   0.39420
O19      0.77386   0.44971   0.40102
O20      0.77652   0.55530   0.37774
O21      0.44854   0.79033   0.90745
O22      0.55730   0.78802   0.92072
O23      0.44870   0.23905   0.90964
O24      0.55461   0.23749   0.90795
O25      0.29014   0.37684   0.41617
O26      0.19941   0.36970   0.65544
O27      0.20080   0.36787   0.15432
O28     -0.29965  -0.37162   0.40293
O29     -0.20977  -0.35655   0.64450
O30     -0.21214  -0.35256   0.14434
O31     -0.34721   0.27825   0.89823
O32     -0.36787   0.19044   0.64878
O33     -0.36883   0.18962   1.14959
O34      0.37346  -0.28690   0.90238
O35      0.35805  -0.19709   0.65794
O36      0.36024  -0.19795   1.15918
O37      0.28530  -0.34827   0.90945
O38      0.19620  -0.35030   0.65626
O39      0.19559  -0.34720   1.16189
O40     -0.28762   0.36485   0.88888
O41     -0.19590   0.36345   0.65086
O42     -0.19794   0.36385   1.15191
O43     -0.36260  -0.28543   0.40840
O44     -0.35294  -0.19535   0.66893
O45     -0.35286  -0.19540   0.16603
O46      0.35557   0.29299   0.41720
O47      0.36327   0.20281   0.66998
O48      0.36635   0.20341   0.16641
O49     -0.39015  -0.37213   0.14945
O50     -0.39168  -0.37178   0.64593
O51      0.38032   0.38090   0.16580
O52      0.38188   0.38062   0.66216
O53      0.37129  -0.37737   0.65429
O54      0.37225  -0.37656   1.15436
O55     -0.37964   0.36332   0.64386
O56     -0.37787   0.36532   1.14101
O57     -0.34943   0.27884   0.39050
O58      0.37763  -0.28615   0.41035
O59     -0.30071  -0.36980   0.88961
O60      0.29092   0.37683   0.90378
O61     -0.36489  -0.28544   0.90693
O62      0.35705   0.29391   0.91548
O63     -0.28810   0.36423   0.40458
O64      0.28751  -0.34479   0.40617
#
#_symmetry_space_group_name_H-M  P 42 C M
#_symmetry_Int_Tables_number  101
#
#   Coordination Sequence :
#
# PCOD3001662 SiO2            R =  0.0177  101
#   1
#  32
#    4   8  12  16  20  24  28  31   0   0
#
#_framework_density    9.73
#
