data_PCOD 590012
_publ_section_title
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Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD 590012 R =  0.0175
Probable space group: P M M N                             
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   16
_cell_length_a          2.7145
_cell_length_b         30.7768
_cell_length_c         34.0083
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2841.16
_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      0.23473   0.13095   0.19859
Si2      0.24050   0.36730   0.20055
Si3      0.70644   0.63153   0.80106
Si4      0.72995   0.86889   0.80206
Si5      0.26429   0.18454   0.12533
Si6      0.25981   0.31435   0.12610
Si7     -0.25316   0.68718  -0.12495
Si8     -0.23455  -0.18807  -0.12362
Si9      0.25259   0.19564   0.26560
Si10      0.26297   0.29985   0.26769
Si11     -0.31846   0.69918  -0.26751
Si12     -0.28079  -0.19785  -0.26800
Si13      0.28548   0.29766   0.04013
Si14      0.27477   0.19600   0.03961
Si15     -0.22209   0.80174  -0.03773
Si16     -0.20227  -0.30076  -0.03825
O1      0.24946   0.14138   0.15219
O2      0.24180   0.17689   0.22143
O3      0.73460   0.10545   0.20965
O4      0.25106   0.35676   0.15398
O5      0.25224   0.32220   0.22483
O6      0.74079   0.39324   0.21080
O7      1.20644   0.60492   0.79230
O8      0.72676   0.64518   0.84686
O9      0.69339   0.67480   0.77445
O10      1.23048   0.89583   0.79415
O11      0.74772   0.85326   0.84728
O12      0.72422   0.82680   0.77385
O13      0.26817   0.16856   0.08008
O14      0.76377   0.21126   0.13347
O15      0.27140   0.32641   0.07991
O16      0.76014   0.28758   0.13504
O17      0.24670   0.71413  -0.13311
O18     -0.22538   0.67292  -0.07934
O19      0.26498  -0.21528  -0.13091
O20     -0.22940  -0.17155  -0.07861
O21      0.25983   0.24787   0.26262
O22      0.75286   0.18032   0.28715
O23      0.76205   0.31361   0.29018
O24      0.18209   0.68669  -0.29057
O25     -0.30135   0.75074  -0.25961
O26      0.21848  -0.18539  -0.29094
O27      0.27886   0.24674   0.05137
O28      0.78491   0.30799   0.01632
O29      0.77504   0.18526   0.01588
O30      0.27825   0.81298  -0.01421
O31     -0.21124   0.75053  -0.04766
O32      0.29718  -0.31257  -0.01494
#
#_symmetry_space_group_name_H-M  P M M N                             
#_symmetry_Int_Tables_number   59
#
#   Starting Wyckoff positions:
#
#    1     4e     0.2500   0.1298   0.2017
#    2     4e     0.2500   0.1868   0.1236
#    3     4e     0.2500   0.2021   0.2716
#    4     4e     0.2500   0.3096   0.0379
#
#   Coordination Sequence :
#
# PCOD 590012 SiO2            R =  0.0175   59
#   1
#  16
#    4   8  12  15   0   0   0   0   0   0
#
#_framework_density    5.63
#
