data_global
_amcsd_formula_title 'Cs1.1 O16 Ti8'
loop_
_publ_author_name
'Fanchon E'
'Hodeau J'
'Vicat J'
'Watts J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 92 
_journal_year 1991
_journal_page_first 88
_journal_page_last 100
_publ_section_title
;
 Three-dimensional/one-dimensional transition in the Cs^+^ sublattice of
 the mixed valence CsTi8O16 hollandite: structures at 297 and 673K
 _cod_database_code 1008514
;
_database_code_amcsd 0016407
_chemical_formula_sum 'Cs.55 Ti4 O8'
_cell_length_a 10.317
_cell_length_b 10.317
_cell_length_c 2.980
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 317.193
_exptl_crystal_density_diffrn      4.111
_symmetry_space_group_name_H-M 'I 4/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,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
_atom_site_occupancy
Cs1   0.00000   0.00000   0.50000   0.55000
Ti1   0.34910   0.16590   0.00000   1.00000
O1   0.15830   0.20780   0.00000   1.00000
O2   0.53830   0.16490   0.00000   1.00000