data_global
_chemical_name_mineral 'Banalsite'
loop_
_publ_author_name
'Takeuchi Y'
'Kudoh Y'
'Haga N'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 138 
_journal_year 1973
_journal_page_first 313
_journal_page_last 336
_publ_section_title
;
 The interpretation of partial Patterson functions and its application to
 structure analyses of serandite Mn2NaHSi3O9 and banalsite BaNa2Al4Si4O16
;
_database_code_amcsd 0010759
_chemical_formula_sum 'Ba Na2 (Al4 Si4) O16'
_cell_length_a 8.496
_cell_length_b 9.983
_cell_length_c 16.755
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1421.085
_exptl_crystal_density_diffrn      3.083
_symmetry_space_group_name_H-M 'I b a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-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'
  '-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
Ba   0.00000   0.00000   0.25000   1.00000
Na   0.04220   0.17450   0.50000   1.00000
Al1   0.22830   0.44290   0.40670   0.50000
Si1   0.22830   0.44290   0.40670   0.50000
Al2   0.07540   0.30950   0.15860   0.50000
Si2   0.07540   0.30950   0.15860   0.50000
O1   0.21430   0.01530   0.00000   1.00000
O2   0.00000   0.29280   0.25000   1.00000
O3   0.12550   0.15320   0.12870   1.00000
O4   0.06180   0.35340   0.40820   1.00000
O5   0.22380   0.42130   0.15350   1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ba 0.01262 0.00843 0.00981 0.00000 0.00000 0.00000
Na 0.01737 0.01348 0.02005 0.00245 0.00000 0.00000
Al1 0.00768 0.00510 0.00412 -0.00163 0.00050 -0.00042
Si1 0.00768 0.00510 0.00412 -0.00163 0.00050 -0.00042
Al2 0.00929 0.01040 0.00882 -0.00090 0.00094 -0.00025
Si2 0.00929 0.01040 0.00882 -0.00090 0.00094 -0.00025
O1 0.00969 0.02110 0.00796 0.00086 0.00000 0.00000
O2 0.01982 0.01323 0.01266 0.00000 -0.00231 0.00000
O3 0.00932 0.00651 0.01977 0.00498 0.00267 -0.00051
O4 0.01997 0.00823 0.01152 -0.00232 0.00224 -0.00271
O5 0.00783 0.01479 0.01522 -0.00537 0.00209 0.00169