data_global
_amcsd_formula_title 'Ba0.45 Na1.7 O13 Ti5.85'
loop_
_publ_author_name
'Hervieu M'
'Germain P'
'Desgardin G'
'Raveau B'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 14 
_journal_year 1979
_journal_page_first 267
_journal_page_last 272
_publ_section_title
;
 Non-stoichiometric titanates (A2-2x)(Ba3x)(Ti6-x)O13 with a
 tunnel structure
 _cod_database_code 1001285
;
_database_code_amcsd 0014270
_chemical_formula_sum 'Na1.7 Ba.452 Ti5.85 O13'
_cell_length_a 15.183
_cell_length_b 3.783
_cell_length_c 9.143
_cell_angle_alpha 90
_cell_angle_beta 98.7
_cell_angle_gamma 90
_cell_volume 519.107
_exptl_crystal_density_diffrn      3.770
_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
Na1   0.45300   0.05800   0.24200   0.01500
Ba1   0.45300   0.05800   0.24200   0.00800
Na2   0.55800   0.00000   0.48300   0.82000
Ba2   0.55800   0.00000   0.48300   0.21000
Ti1   0.11900   0.00000   0.09700   0.97500
Ti2   0.17000   0.00000   0.43900   0.97500
Ti3   0.22800   0.00000   0.77100   0.97500
O1   0.00000   0.00000   0.00000   1.00000
O2   0.23800   0.00000   0.25100   1.00000
O3   0.07600   0.00000   0.26600   1.00000
O4   0.29200   0.00000   0.57100   1.00000
O5   0.13000   0.00000   0.60400   1.00000
O6   0.36100   0.00000   0.89800   1.00000
O7   0.17000   0.00000   0.91900   1.00000