data_global
_amcsd_formula_title 'H Nb O5 Ti'
loop_
_publ_author_name
'Rebbah A'
'Pannetier J'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 41 
_journal_year 1982
_journal_page_first 57
_journal_page_last 62
_publ_section_title
;
 Localization of Hydrogen in the Layer Oxide H Ti Nb O5
 _cod_database_code 1001206
;
_database_code_amcsd 0013461
_chemical_formula_sum 'H (Ti Nb) O5'
_cell_length_a 6.534
_cell_length_b 3.777
_cell_length_c 16.675
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 411.521
_exptl_crystal_density_diffrn      3.580
_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
H1   0.40400   0.25000   0.19200   1.00000
Ti1   0.29100   0.25000   0.02400   0.77000
Nb1   0.29100   0.25000   0.02400   0.23000
Ti2   0.79400   0.25000   0.12200   0.23000
Nb2   0.79400   0.25000   0.12200   0.77000
O1   0.06900   0.25000   0.07700   1.00000
O2   0.64100   0.25000  -0.00800   1.00000
O3   0.46900   0.25000   0.13100   1.00000
O4   0.83300   0.25000   0.22400   1.00000
O5   0.23100   0.25000   0.90900   1.00000