data_global
_amcsd_formula_title 'H2Ti3O7'
loop_
_publ_author_name
'Le Bail A'
'Fourquet J'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 27 
_journal_year 1992
_journal_page_first 75
_journal_page_last 85
_publ_section_title
;
 Crystal structure and thermal behaviour of H2Ti3O7: a new
 defective ramsdellite form from Li/H exchange on Li2Ti3O7
 _cod_database_code 1000112
;
_database_code_amcsd 0014363
_chemical_formula_sum 'Ti.857 O2 H.571'
_cell_length_a 9.7689
_cell_length_b 2.9212
_cell_length_c 4.6745
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 133.396
_exptl_crystal_density_diffrn      3.665
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ti   0.13290   0.25000   0.99320   0.85710
O1   0.28500   0.25000   0.71160   1.00000
O2   0.96180   0.25000   0.22940   1.00000
H   0.51270   0.25000   0.09390   0.57140