data_PCOD3002966
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3002966 R =  0.0182
Probable space group: P M M M
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   17
_cell_length_a          7.6780
_cell_length_b         19.7338
_cell_length_c         13.5368
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2051.05
_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     -0.01381   0.00196   0.50359
Si2      0.03628   0.12181   0.40302
Si3     -0.03847  -0.11740   0.39864
Si4     -0.03715   0.12248  -0.39251
Si5      0.03130  -0.11818  -0.39579
Si6      0.29639  -0.06503   0.29131
Si7     -0.29505   0.06964   0.29483
Si8     -0.29871  -0.06294  -0.28813
Si9      0.29716   0.06917  -0.28581
Si10     -0.31880   0.08691  -0.28143
Si11      0.31470  -0.08010  -0.27986
Si12      0.32108   0.08492   0.28899
Si13     -0.31386  -0.07916   0.28061
Si14     -0.20811   0.00914  -0.11029
Si15      0.20889  -0.00085  -0.10757
Si16      0.20888   0.01006   0.11403
Si17     -0.20829   0.00479   0.11245
O1      0.10821   0.04755   0.43421
O2     -0.12441  -0.04585   0.43181
O3     -0.12308   0.05069   0.57501
O4      0.10625  -0.04429   0.57344
O5     -0.14030   0.11460   0.34066
O6      0.19498   0.14368   0.33183
O7      0.00187   0.16158   0.50532
O8      0.14373  -0.10836   0.34205
O9     -0.19050  -0.13921   0.32306
O10     -0.00468  -0.15719   0.50130
O11      0.13841   0.11318  -0.32964
O12     -0.19413   0.14688  -0.32206
O13     -0.14716  -0.10900  -0.33491
O14      0.18994  -0.13867  -0.32383
O15      0.29203   0.01065   0.33688
O16      0.25667  -0.05792   0.17446
O17      0.48569  -0.09962   0.29943
O18     -0.28398  -0.00716   0.33548
O19     -0.28036   0.06801   0.17572
O20     -0.48083   0.10459   0.31621
O21     -0.28703   0.01329  -0.33161
O22     -0.27010  -0.05745  -0.17004
O23     -0.48516  -0.09897  -0.30214
O24      0.28521  -0.00650  -0.33017
O25      0.28009   0.06446  -0.16718
O26      0.48163   0.10539  -0.30615
O27     -0.28187   0.07562  -0.16531
O28      0.27484  -0.06824  -0.16376
O29      0.28843   0.07449   0.17203
O30     -0.26865  -0.06453   0.16607
O31      0.00080   0.00640  -0.10600
O32     -0.28185   0.00675   0.00126
O33      0.28324   0.00317   0.00347
O34      0.00001   0.01296   0.10980
#
#_symmetry_space_group_name_H-M  P M M M
#_symmetry_Int_Tables_number   47
#
#   Coordination Sequence :
#
# PCOD3002966 SiO2            R =  0.0182   47
#   4
#   1  4  8  4
#    4   8  12  16  26  24  34  46  40   0
#    4  10  14  22  24  29  41  42  46   0
#    4   9  14  20  27  32  36  41  48   0
#    4   9  14  21  29  30  34  42  45   0
#
#_framework_density    8.29
#
