data_PCOD3102839
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3102839 R =  0.0182
Probable space group: A M M 2
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   16
_cell_length_a         29.5475
_cell_length_b         13.1984
_cell_length_c          5.3269
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2077.41
_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      0.00120   0.14839   0.36204
Si2      0.00003   0.87228   0.36089
Si3      0.00051   0.64120   0.83787
Si4     -0.00053   0.36639   0.84291
Si5     -0.08704   0.20651   0.51573
Si6      0.08650  -0.19082   0.51661
Si7     -0.08612  -0.18925   0.18983
Si8      0.08782   0.20610   0.19012
Si9     -0.08654   0.70482   0.68561
Si10      0.08767   0.30734   0.68759
Si11     -0.08764   0.30842   1.01125
Si12      0.08631   0.70290   1.01158
Si13     -0.06568   0.00863   0.35540
Si14      0.06736   0.01039   0.35830
Si15     -0.06732   0.50329   0.83122
Si16      0.06715   0.50478   0.84533
O1     -0.03257   0.21818   0.52487
O2      0.03331   0.21911   0.19200
O3     -0.03073   0.07600   0.19190
O4      0.03436   0.07902   0.53183
O5      0.03203   0.80056   0.52950
O6     -0.03149   0.80005   0.19124
O7     -0.03305   0.94096   0.53258
O8      0.03232   0.94395   0.19228
O9     -0.03189   0.71241   0.67078
O10      0.03167   0.71263   1.01027
O11     -0.03267   0.56924   1.00191
O12      0.03409   0.57229   0.66955
O13      0.03319   0.29547   0.68244
O14     -0.03311   0.29681   1.01311
O15     -0.03332   0.43393   0.66650
O16      0.03184   0.43851   1.01039
O17     -0.10833   0.25443   0.76636
O18     -0.09725   0.08586   0.51036
O19     -0.10692   0.25992   0.26730
O20      0.09745  -0.07033   0.51174
O21      0.10669  -0.24325   0.76491
O22      0.10482  -0.24450   0.26458
O23     -0.09541  -0.06866   0.18951
O24     -0.10670  -0.24068   0.43888
O25     -0.10470  -0.24281  -0.06091
O26      0.10881   0.25611   0.43973
O27      0.09753   0.08564   0.19090
O28      0.10787   0.25679  -0.06082
O29     -0.09750   0.58466   0.68079
O30      0.09825   0.42756   0.68879
O31     -0.09781   0.42858   0.99983
O32      0.09675   0.58261   1.01091
#
#_symmetry_space_group_name_H-M  A M M 2
#_symmetry_Int_Tables_number   38
#
#   Coordination Sequence :
#
# PCOD3102839 SiO2            R =  0.0182   38
#   3
#   4  8  4
#    4   7  14  26  28  41  44  53   0   0
#    4  10  17  25  33  38  46  55   0   0
#    4   7  16  26  28  44  44  52   0   0
#
#_framework_density    7.70
#