data_global
_amcsd_formula_title 'Nb2 O7 Ti'
loop_
_publ_author_name
'Gasperin M'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 53 
_journal_year 1984
_journal_page_first 144
_journal_page_last 147
_publ_section_title
;
 Affinement de la structure de Ti Nb2 O7 et repartition des cations
 _cod_database_code 1001270
;
_database_code_amcsd 0013526
_chemical_formula_sum '(Nb2 Ti) O7'
_cell_length_a 20.351
_cell_length_b 3.801
_cell_length_c 11.882
_cell_angle_alpha 90
_cell_angle_beta 120.19
_cell_angle_gamma 90
_cell_volume 794.455
_exptl_crystal_density_diffrn      4.335
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nb1   0.00000   0.00000   0.00000   0.66670
Ti1   0.00000   0.00000   0.00000   0.33330
Nb2   0.18560   0.00000   0.00600   0.66670
Ti2   0.18560   0.00000   0.00600   0.33330
Nb3   0.07860   0.00000   0.63680   0.66670
Ti3   0.07860   0.00000   0.63680   0.33330
Nb4   0.88890   0.00000   0.63070   0.66670
Ti4   0.88890   0.00000   0.63070   0.33330
Nb5   0.29310   0.00000   0.39760   0.66670
Ti5   0.29310   0.00000   0.39760   0.33330
O1   0.17380   0.00000   0.58590   1.00000
O2   0.37300   0.00000   0.58000   1.00000
O3   0.59670   0.00000   0.62100   1.00000
O4   0.79090   0.00000   0.61880   1.00000
O5   0.25080   0.00000   0.19730   1.00000
O6   0.70940   0.00000   0.00220   1.00000
O7   0.89960   0.00000   0.98630   1.00000
O8   0.02500   0.00000   0.41880   1.00000
O9   0.87530   0.00000   0.18850   1.00000
O10   0.50000   0.00000   0.00000   1.00000
O11   0.04950   0.00000   0.19790   1.00000