data_global
_amcsd_formula_title 'O11 Ti6'
loop_
_publ_author_name
'le Page Y'
'Strobel P'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 44 
_journal_year 1982
_journal_page_first 273
_journal_page_last 281
_publ_section_title
;
 Structural chemistry of the Magneli phases Tin O(2n-1), 4<=n<=9
 _cod_database_code 1008195
;
_database_code_amcsd 0016131
_chemical_formula_sum 'Ti6 O11'
_cell_length_a 5.552
_cell_length_b 7.126
_cell_length_c 32.233
_cell_angle_alpha 66.94
_cell_angle_beta 57.08
_cell_angle_gamma 108.51
_cell_volume 716.039
_exptl_crystal_density_diffrn      4.297
_symmetry_space_group_name_H-M 'I -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti1   0.01694   0.01249   0.04189
Ti2   0.04804   0.04599   0.12796
Ti3   0.08925   0.03991   0.21912
Ti4   0.01538   0.51222   0.04304
Ti5   0.04278   0.53903   0.12984
Ti6   0.09235   0.54489   0.21673
O1  -0.01950   0.69310   0.07571
O2  -0.07700   0.67040   0.17792
O3   0.03360   0.32190   0.01279
O4   0.05830   0.33830   0.10073
O5   0.03250   0.31500   0.19623
O6   0.60360   0.81950   0.05449
O7   0.63440   0.84010   0.14142
O8   0.62310   0.84260   0.23277
O9   0.40550   0.18620   0.03826
O10   0.41270   0.18850   0.12846
O11   0.44360   0.17930   0.21666