data_PCOD3003929
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3003929 R =  0.0183
Probable space group: C M M M
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   26
_cell_length_a         21.5092
_cell_length_b          7.6231
_cell_length_c         23.0778
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3783.99
_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     -0.00020   0.00987   0.50098
Si2      0.50178   0.50273   0.50139
Si3      0.11483  -0.02046   0.55884
Si4     -0.11437   0.01455   0.56222
Si5     -0.11315  -0.02722  -0.55848
Si6      0.11286   0.02989  -0.56104
Si7      0.61673   0.51519   0.55924
Si8      0.38663   0.48507   0.56111
Si9      0.38765   0.52485  -0.55970
Si10      0.61440   0.47171  -0.56012
Si11      0.31213   0.18382   0.57242
Si12     -0.30915  -0.18699   0.57319
Si13     -0.31192   0.17430  -0.56988
Si14      0.31198  -0.17906  -0.57126
Si15     -0.32300  -0.20893  -0.56515
Si16      0.32449   0.20454  -0.56627
Si17      0.32525  -0.19726   0.56729
Si18     -0.32595   0.19143   0.56843
Si19      0.82669   0.69174   0.57110
Si20      0.17474   0.29652   0.56798
Si21      0.17556   0.70676  -0.56877
Si22      0.82542   0.29224  -0.56443
Si23      0.18795   0.32454  -0.57005
Si24      0.81316   0.67296  -0.56747
Si25      0.81121   0.31064   0.57386
Si26      0.19001   0.67748   0.56956
O1      0.04696  -0.09612   0.54258
O2     -0.04797   0.10037   0.54558
O3     -0.04497  -0.09922   0.45775
O4      0.04633   0.10999   0.45739
O5      0.55055   0.60107   0.54329
O6      0.45454   0.40783   0.54556
O7      0.45525   0.60109   0.45739
O8      0.54716   0.39683   0.45817
O9      0.11811   0.17135   0.58835
O10      0.14981  -0.16483   0.59800
O11      0.15224   0.00970   0.49865
O12     -0.15062   0.15163   0.60316
O13     -0.15157  -0.00711   0.50157
O14     -0.11580  -0.18170   0.58854
O15     -0.11842   0.16654  -0.58570
O16     -0.14755  -0.17228  -0.59774
O17      0.14828   0.17102  -0.60107
O18      0.11831  -0.16659  -0.58646
O19      0.61754   0.32055   0.58679
O20      0.65443   0.49053   0.49932
O21      0.65229   0.65202   0.60092
O22      0.35170   0.34197   0.60065
O23      0.38266   0.67990   0.58756
O24      0.34943   0.50692   0.50050
O25      0.38166   0.32978  -0.58592
O26      0.35361   0.66800  -0.60009
O27      0.64766   0.32683  -0.60030
O28      0.61942   0.66848  -0.58530
O29      0.33318  -0.00588   0.59590
O30      0.23968   0.21133   0.58801
O31      0.32299   0.18835   0.50343
O32     -0.33284   0.00018   0.59713
O33     -0.32017  -0.19055   0.50425
O34     -0.23727  -0.21430   0.59031
O35     -0.33033  -0.01755  -0.59393
O36     -0.23985   0.20994  -0.58468
O37     -0.32468   0.17527  -0.50122
O38      0.33249   0.01228  -0.59421
O39      0.24066  -0.21017  -0.58949
O40      0.32191  -0.18288  -0.50215
O41     -0.25867  -0.29899  -0.58472
O42      0.25988   0.29238  -0.58608
O43      0.26136  -0.28963   0.58761
O44     -0.26135   0.28120   0.58761
O45      0.83270   0.49887   0.59873
O46      0.82397   0.67558   0.50143
O47      0.16749   0.49072   0.59439
O48      0.17567   0.31299   0.49842
O49      0.16658   0.51258  -0.59509
O50      0.17951   0.68635  -0.49925
O51      0.83467   0.48464  -0.59187
O52      0.82435   0.30636  -0.49479
#
#_symmetry_space_group_name_H-M  C M M M
#_symmetry_Int_Tables_number   65
#
#   Coordination Sequence :
#
# PCOD3003929 SiO2            R =  0.0183   65
#   3
#   2  8 16
#    4   8  16  24  22  24  36  50  44   0
#    4   8  14  22  24  28  38  40  45   0
#    4   9  13  17  26  35  35  35  43   0
#
#_framework_density    6.87
#
