data_PCOD3201744
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
TiSi10O23      PCOD3201744 R =  0.0179
Probable space group: P M M A
;
_chemical_formula_sum  "Ti Si10 O23"
_cell_formula_units_Z    2
_cell_length_a         14.7648
_cell_length_b          7.8265
_cell_length_c         17.6977
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2045.08
_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      0.00045   0.49950   0.49591
Ti2      0.50015   0.49909   0.50396
Si3     -0.14243   0.49897   0.65644
Si4      0.64907   0.49443   0.66049
Si5      0.15027   0.49585  -0.66040
Si6      0.35671   0.49797  -0.65553
Si7      0.15609   0.15786  -0.65025
Si8      0.35224  -0.15748  -0.64755
Si9     -0.14740   0.15677   0.65076
Si10      0.65620  -0.16798   0.65264
Si11     -0.14640  -0.16328   0.64942
Si12      0.65539   0.15256   0.65330
Si13      0.15826  -0.16053  -0.65222
Si14      0.35272   0.15921  -0.64599
Si15     -0.15092  -0.19686   0.47005
Si16      0.65273   0.18994   0.47367
Si17      0.15420  -0.19335  -0.47307
Si18      0.34905   0.19717  -0.46695
Si19      0.15294   0.19583  -0.47173
Si20      0.34753  -0.19136  -0.46848
Si21     -0.15206   0.18993   0.47084
Si22      0.65302  -0.19801   0.47281
O1     -0.08533   0.50388   0.57893
O2     -0.07221   0.32049   0.44751
O3     -0.07156   0.67351   0.44369
O4      0.08603   0.49479   0.41290
O5      0.07215   0.32627   0.54891
O6      0.07218   0.67771   0.54539
O7      0.58685   0.50333   0.58590
O8      0.57141   0.32037   0.45411
O9      0.57263   0.67145   0.45104
O10      0.41408   0.49456   0.42165
O11      0.42859   0.32656   0.55729
O12      0.42831   0.67804   0.55290
O13     -0.11554   0.32269   0.69752
O14     -0.24740   0.49477   0.63275
O15     -0.11759   0.67377   0.69944
O16      0.62484   0.31738   0.70152
O17      0.62883   0.67031   0.70458
O18      0.25241   0.49620  -0.62988
O19      0.12951   0.31890  -0.70310
O20      0.12965   0.67482  -0.70172
O21      0.38104   0.32126  -0.69745
O22      0.38127   0.67622  -0.69578
O23      0.08891  -0.00258  -0.66204
O24      0.25550   0.09313  -0.67589
O25      0.16210   0.20914  -0.56261
O26      0.25611  -0.09500  -0.68106
O27      0.42146   0.00070  -0.65680
O28      0.33998  -0.20030  -0.55941
O29     -0.07926  -0.00240   0.66081
O30     -0.15759   0.19887   0.56218
O31     -0.24500   0.09716   0.68221
O32      0.58895  -0.00862   0.66586
O33      0.66108  -0.21154   0.56389
O34      0.75516  -0.10358   0.67907
O35     -0.15375  -0.20826   0.56096
O36      0.66253   0.19550   0.56457
O37      0.16739  -0.20516  -0.56368
O38      0.34365   0.20782  -0.55803
O39     -0.12943  -0.00313   0.44563
O40     -0.24974  -0.24944   0.43850
O41      0.62890  -0.00385   0.44983
O42      0.74969   0.24411   0.43851
O43      0.12888   0.00042  -0.45046
O44      0.24998  -0.24527  -0.43471
O45      0.24983   0.24925  -0.43597
O46      0.37157   0.00262  -0.44371
#
#_symmetry_space_group_name_H-M  P M M A
#_symmetry_Int_Tables_number   51
#
#   Starting Wyckoff positions:
#
#    1     2d     0.0000   0.5000   0.5000
#    2     4j    -0.1473   0.5000   0.6985
#    3     8l     0.1618   0.1628  -0.6370
#    4     8l    -0.1633  -0.1947   0.4261
#
#   Coordination Sequence :
#
# PCOD3201744 TiSi10O23       R =  0.0179   51
#   4
#   2  4  8  8
#    6  14  16  22  38  44  42  54  68   0
#    4  10  18  22  26  38  48  50  56   0
#    4   7  11  20  28  31  39  51  56   0
#    4  10  20  28  31  39  51  56  60   0
#
#_framework_density   10.76
#
