data_PCOD1940025
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD1940025 R =  0.0170
Probable space group: P 63/M M C                          
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   18
_cell_length_a         31.6311
_cell_length_b         31.6311
_cell_length_c          2.7173
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          2354.53
_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      0.71132   0.42400   0.25811
Si2     -0.42484   0.28756   0.22791
Si3      0.71668   0.28382   0.22658
Si4      0.28582  -0.42261   0.74128
Si5      0.42424   0.71163   0.75793
Si6      0.28539   0.71608   0.74582
Si7      0.82156   0.45807   0.25538
Si8     -0.46400   0.35963   0.24585
Si9     -0.35988  -0.82424   0.23590
Si10     -0.82364  -0.45723  -0.26879
Si11      0.46043  -0.36128  -0.25544
Si12      0.36280   0.82596  -0.23326
Si13      0.46144   0.82288  -0.23003
Si14      0.35912  -0.45968  -0.25909
Si15     -0.82394  -0.35784  -0.24323
Si16     -0.45705  -0.82123   0.22899
Si17     -0.36322   0.46015   0.26228
Si18      0.82527   0.36024   0.25668
O1      0.77005   0.45711   0.25733
O2      0.68670   0.45803   0.26158
O3      0.69504   0.39221   0.75838
O4     -0.46027   0.31061   0.23768
O5     -0.45856   0.22895   0.22761
O6     -0.39314   0.30396   0.72789
O7      0.77528   0.30830   0.24156
O8      0.70066   0.29953   0.72681
O9      0.69270   0.22519   0.23029
O10      0.30184  -0.39085   1.24122
O11      0.30922  -0.45762   0.74262
O12      0.22736  -0.45720   0.73681
O13      0.39257   0.69482   1.25757
O14      0.45796   0.77031   0.76411
O15      0.46074   0.68988   0.74912
O16      0.30008   0.69907   1.24636
O17      0.31185   0.77486   0.75533
O18      0.22690   0.69341   0.75156
O19      0.81128   0.40279   0.25568
O20      0.85028   0.48416   0.75545
O21     -0.40916   0.40543   0.25517
O22     -0.49076   0.36098   0.74579
O23     -0.40087  -0.80818   0.23146
O24     -0.36492  -0.85380   0.73569
O25     -0.81133  -0.40130  -0.25570
O26     -0.85265  -0.48277   0.23135
O27      0.40425  -0.40450  -0.25758
O28      0.48593  -0.36475   0.24423
O29      0.40666   0.81402  -0.23064
O30      0.36594   0.85485   0.26699
O31      0.48815   0.85105   0.27001
O32      0.36129  -0.48609   0.24076
O33     -0.85292  -0.36116   0.25642
O34     -0.48235  -0.85042   0.72869
O35     -0.36503   0.48673   0.76212
O36      0.85468   0.36464   0.75653
#
#_symmetry_space_group_name_H-M  P 63/M M C                          
#_symmetry_Int_Tables_number  194
#
#   Starting Wyckoff positions:
#
#    1     6h     0.7082   0.4165   0.2500
#    2    12j     0.8408   0.4749   0.2500
#
#   Coordination Sequence :
#
# PCOD1940025 SiO2            R =  0.0170  194
#   1
#  18
#    4   8  12  16   0   0   0   0   0   0
#
#_framework_density    7.64
#
