data_PCOD3003939
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3003939 R =  0.0093
Probable space group: C M M A
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   24
_cell_length_a          8.9905
_cell_length_b         12.7868
_cell_length_c         32.9375
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3786.48
_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      0.00027   0.85620   0.02033
Si2      0.00757   0.63187   0.01906
Si3      0.00083   0.36870   0.98205
Si4     -0.00811   0.14454   0.97872
Si5      0.49561   0.35853   0.02301
Si6      0.49760   0.13163   0.02077
Si7      0.50012   0.87037   0.98059
Si8      0.49776   0.64363   0.97946
Si9      0.24402  -0.00201   0.05881
Si10     -0.25170   0.50186  -0.05670
Si11     -0.25103   0.00448  -0.06149
Si12      0.24745   0.49640   0.06228
Si13     -0.24972   0.50131   0.05961
Si14      0.24636   0.00311  -0.05950
Si15      0.24540   0.50575  -0.06186
Si16     -0.25430  -0.00788   0.06191
Si17     -0.00298   0.36272   1.07848
Si18     -0.00956   0.13820   1.07522
Si19      0.00161   0.86146  -1.07600
Si20     -0.00189  -0.36028  -1.07707
Si21      0.49654   0.86236   1.07730
Si22      0.49919  -0.36151   1.07613
Si23      0.49207   0.36376  -1.07369
Si24      0.50034   0.13758  -1.07607
O1      0.00317   0.74292   0.04240
O2      0.15066   0.91875   0.03086
O3     -0.14322   0.92071   0.03544
O4     -0.00689   0.83857  -0.02796
O5      0.15579   0.56942   0.03149
O6     -0.13741   0.56430   0.03048
O7      0.00735   0.65728  -0.02875
O8      0.00273   0.25862   0.95812
O9      0.00923   0.34687   1.03003
O10     -0.15257   0.42941   0.97260
O11      0.13922   0.43979   0.96796
O12     -0.00968   0.16037   1.02722
O13     -0.15980   0.08718   0.96564
O14      0.13266   0.07394   0.96633
O15      0.51221   0.24377   0.04299
O16      0.34211   0.41074   0.03753
O17      0.63597   0.43151   0.03349
O18      0.48619   0.34352  -0.02550
O19      0.34173   0.07627   0.03130
O20      0.63395   0.05630   0.03294
O21      0.50691   0.15167  -0.02747
O22      0.49443   0.75765   0.95844
O23      0.50486   0.84807   1.02877
O24      0.35421   0.93810   0.97037
O25      0.64872   0.93141   0.96738
O26      0.48885   0.65910   1.02796
O27      0.35504   0.57787   0.96483
O28      0.64959   0.58299   0.96906
O29      0.13235   0.06652   0.08628
O30      0.35321  -0.06759   0.08812
O31     -0.14549   0.56847  -0.08664
O32     -0.36130   0.43113  -0.08391
O33     -0.13813  -0.06560  -0.08787
O34     -0.35902   0.06991  -0.09124
O35      0.13514   0.43459   0.09215
O36      0.36070   0.56567   0.08908
O37     -0.15495   0.42417   0.08848
O38     -0.34458   0.58277   0.08659
O39      0.34840   0.07755  -0.08754
O40      0.15332  -0.07820  -0.08692
O41      0.34589   0.42628  -0.08815
O42      0.14618   0.57871  -0.09121
O43     -0.15823   0.07546   0.08761
O44     -0.35293  -0.07982   0.09183
O45      0.00008   0.24842   1.09893
O46     -0.01147   0.75147  -1.09953
O47      0.48622   0.74959   1.09891
O48      0.50214   0.25229  -1.09633
#
#_symmetry_space_group_name_H-M  C M M A
#_symmetry_Int_Tables_number   67
#
#   Coordination Sequence :
#
# PCOD3003939 SiO2            R =  0.0093   67
#   2
#  16  8
#    4  10  17  23  30  37  43  50  57  63
#    4  10  17  24  30  36  44  50  56  64
#
#_framework_density    6.34
#