data_PCOD 870004
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD 870004 R =  0.0183
Probable space group: I 4/M                               
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   24
_cell_length_a         30.7665
_cell_length_b         30.7665
_cell_length_c          2.7137
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2568.69
_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      0.14366   0.14138   0.03970
Si2      0.85776   0.86407  -0.01395
Si3      0.87279   0.13944  -0.00138
Si4      0.12438   0.86617   0.01311
Si5      0.64239   0.63747   0.50870
Si6      0.36331   0.37585   0.54055
Si7      0.36672   0.64452   0.49067
Si8      0.63603   0.36080   0.51569
Si9      0.04926   0.13693   0.02465
Si10     -0.04777  -0.13632  -0.03285
Si11     -0.16904   0.04832   0.00222
Si12      0.16547  -0.04453   0.03138
Si13      0.54744   0.63031   0.52188
Si14      0.45154   0.32935   0.51706
Si15      0.36871   0.54879   0.49877
Si16      0.67254   0.45323   0.51986
Si17      0.95897   0.18666   0.00842
Si18     -0.95901  -0.18623  -0.00197
Si19     -0.16952   0.95595  -0.01016
Si20      0.17063  -0.95199   0.03337
Si21      1.45564   0.67857   0.52596
Si22     -0.45797   0.32066   0.49324
Si23      0.31630   1.46101   0.51973
Si24      0.67240  -0.45579   0.51440
O1      0.09531   0.16204   0.03289
O2      0.13833   0.08919   0.03719
O3      0.16792   0.15578   0.53907
O4      0.86458   0.91617  -0.01217
O5      0.83269   0.85090   0.48571
O6      0.90486   0.84101  -0.02359
O7      0.92481   0.14699   0.00218
O8      0.86556   0.08747  -0.00052
O9      0.85274   0.15941   0.49864
O10      0.12852   0.91843   0.02306
O11      0.14563   0.84758   0.51292
O12      0.07298   0.85534   0.00694
O13      0.59315   0.65605   0.51254
O14      0.63948   0.58499   0.51101
O15      0.66608   0.65313   1.00858
O16      0.41493   0.36671   0.52597
O17      0.35699   0.42796   0.52691
O18      0.34268   0.35662   1.03994
O19      0.34616   0.59619   0.49238
O20      0.41917   0.64090   0.50913
O21      0.35211   0.66877   0.99178
O22      0.63903   0.41310   0.51585
O23      0.58478   0.35054   0.50507
O24      0.65718   0.34219   1.01541
O25      0.00860   0.16992   0.01531
O26      0.04676   0.10853   0.52393
O27     -0.00933  -0.17193  -0.01872
O28     -0.04367  -0.10815   0.46755
O29     -0.14426   0.00202  -0.00466
O30     -0.19730   0.05124   0.50178
O31      0.14343   0.00309   0.03386
O32      0.19349  -0.04943   0.53144
O33      0.50484   0.66069   0.52564
O34      0.54601   0.60179   1.02196
O35      0.49931   0.35103   0.50535
O36      0.44655   0.30139   1.01730
O37      0.33281   0.51068   0.50936
O38      0.39691   0.54493   1.00057
O39      0.64618   0.49874   0.51829
O40      0.70084   0.45114   1.01966
O41      0.95161   0.21414   0.50856
O42     -0.94987  -0.21320   0.49797
O43     -0.19781   0.95305   0.48985
O44      0.19906  -0.95039   0.53358
O45      1.44904   0.70638   1.02582
O46     -0.45852   0.29224   0.99366
O47      0.28913   1.45314   1.01923
O48      0.70082  -0.45357   1.01401
#
#_symmetry_space_group_name_H-M  I 4/M                               
#_symmetry_Int_Tables_number   87
#
#   Starting Wyckoff positions:
#
#    1     8h     0.1586   0.1526   0.0000
#    2     8h     0.0569   0.1610   0.0000
#    3     8h     0.9511   0.1762   0.0000
#
#   Coordination Sequence :
#
# PCOD 870004 SiO2            R =  0.0183   87
#   1
#  24
#    4   8  12  16   0   0   0   0   0   0
#
#_framework_density    9.34
#
