data_PCOD3201747
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
TiSi8O19       PCOD3201747 R =  0.0195
Probable space group: P M M A
;
_chemical_formula_sum  "Ti Si8 O19"
_cell_formula_units_Z    2
_cell_length_a         12.8104
_cell_length_b         14.0993
_cell_length_c          8.8813
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1604.13
_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
Ti1     -0.00252  -0.00514   0.49700
Ti2      0.50061   0.00056   0.49755
Si3     -0.12850  -0.00934   0.16372
Si4      0.63328  -0.00509   0.16638
Si5      0.12879   0.00490  -0.17223
Si6      0.36795   0.00663  -0.17163
Si7      0.01107   0.13471  -0.01271
Si8      0.51056  -0.13669   0.00745
Si9     -0.00828  -0.13972   0.00692
Si10      0.49029   0.13806  -0.01185
Si11      0.36796   0.10655   0.23004
Si12      0.13383  -0.10870   0.22608
Si13     -0.36785   0.10405  -0.22861
Si14      0.86764  -0.11050  -0.23578
Si15     -0.36865  -0.10777  -0.23362
Si16      0.86786   0.10134  -0.23036
Si17      0.36860  -0.10538   0.22540
Si18      0.13194   0.10285   0.23202
O1     -0.10699   0.00892   0.33929
O2      0.06768  -0.10366   0.38040
O3      0.08259   0.09121   0.39799
O4      0.10274  -0.01689   0.65472
O5     -0.08740  -0.10146   0.59564
O6     -0.06940   0.09577   0.61262
O7      0.60738   0.01174   0.34159
O8      0.41711   0.09717   0.39642
O9      0.43311  -0.09953   0.38100
O10      0.39424  -0.01165   0.65376
O11      0.56878   0.10001   0.61477
O12      0.58449  -0.09597   0.59906
O13     -0.04470   0.04143   0.05520
O14     -0.10435  -0.11846   0.12123
O15     -0.24750   0.01750   0.12398
O16      0.60583  -0.11357   0.12106
O17      0.54916   0.04728   0.05919
O18      0.24860  -0.01866  -0.13344
O19      0.10587   0.11401  -0.12869
O20      0.04718  -0.04619  -0.06028
O21      0.45061  -0.04633  -0.06333
O22      0.39537   0.11487  -0.12631
O23      0.06344   0.17803   0.13602
O24     -0.07991   0.17741  -0.11686
O25      0.42085  -0.18161   0.11161
O26      0.56242  -0.18355  -0.13940
O27      0.08233  -0.18386   0.11023
O28     -0.06240  -0.18473  -0.13995
O29      0.43495   0.18299   0.13442
O30      0.58094   0.18163  -0.11607
O31      0.36805   0.00119   0.15736
O32      0.24932   0.14283   0.24600
O33      0.25169  -0.13954   0.26411
O34      0.13305  -0.00220   0.15798
O35     -0.36919  -0.00263  -0.16066
O36     -0.24957   0.13500  -0.26438
O37      0.86904  -0.00525  -0.16285
O38      0.74891  -0.14743  -0.24290
#
#_symmetry_space_group_name_H-M  P M M A
#_symmetry_Int_Tables_number   51
#
#   Starting Wyckoff positions:
#
#    1     2c     0.0000   0.0000   0.5000
#    2     4i    -0.1441   0.0000   0.1600
#    3     4g     0.0000   0.1502   0.0000
#    4     8l     0.3403   0.1196   0.2569
#
#   Coordination Sequence :
#
# PCOD3201747 TiSi8O19        R =  0.0195   51
#   4
#   2  4  4  8
#    6  10  16  20  22  30  38  40  44  50
#    4  11  15  19  26  30  34  41  45  49
#    4   9  16  22  26  30  34  38  46  52
#    4  10  15  21  26  30  35  40  45  50
#
#_framework_density   11.22
#
