data_PCOD3201586
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
TiSi4O11       PCOD3201586 R =  0.0188
Probable space group: P M M A
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_chemical_formula_sum  "Ti Si4 O11"
_cell_formula_units_Z    2
_cell_length_a          7.7630
_cell_length_b         14.8882
_cell_length_c          8.1417
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume           940.99
_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      0.06871   0.89063   0.81666
Si2      0.40780   0.10207   0.82969
Si3      0.90659   0.91561   0.15976
Si4      0.57668   0.10996   0.15602
Si5      0.91945   0.11671   0.16951
Si6      0.57148   0.90933   0.15213
Si7      0.07869   0.09039   0.82900
Si8      0.40576   0.90097   0.82205
Ti9     -0.00995   0.00494   0.49522
Ti10      0.49042   0.00751   0.49055
O1      0.24404   0.83469   0.78848
O2      0.14038   0.98902   0.86669
O3     -0.03083   0.90298   0.64443
O4     -0.04985   0.84800   0.95706
O5      0.23495   0.15622   0.77994
O6      0.52389   0.09571   0.66606
O7      0.33998   0.00111   0.86760
O8      0.48036   0.14693   0.99492
O9      0.74244   0.85396   0.20305
O10      0.85512   1.01773   0.11438
O11      1.03246   0.92087   0.31589
O12      0.74309   0.17302   0.18833
O13      0.46958   0.10177   0.32496
O14      0.64012   0.00957   0.10917
O15      1.01198   0.10682   0.34544
O16      1.04564   0.15966   0.03486
O17      0.45584   0.91909   0.31525
O18      0.49878   0.86533  -0.01379
O19     -0.05235   0.08753   0.67666
O20      0.51353   0.91143   0.65387
O21      0.24041   0.01001   0.53037
O22     -0.25962   0.00161   0.45566
#
#_symmetry_space_group_name_H-M  P M M A
#_symmetry_Int_Tables_number   51
#
#   Starting Wyckoff positions:
#
#    1     8l     0.0434   0.8772   0.8062
#    2     2c     0.0000   0.0000   0.5000
#
#   Coordination Sequence :
#
# PCOD3201586 TiSi4O11        R =  0.0188   51
#   2
#   8  2
#    4   9  17  24  31  40  47  53   0   0
#    6  14  20  26  34  40  46  54   0   0
#
#_framework_density   10.63
#
